Cas no 116118-12-8 ([4-[4-[4-(hydroxymethyl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]methanol)
![[4-[4-[4-(hydroxymethyl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]methanol structure](https://ossimg.kuujia.com/scimg/116500/116118-12-8x500.png)
116118-12-8 structure
Product Name:[4-[4-[4-(hydroxymethyl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]methanol
CAS No:116118-12-8
MF:C20H26O6
MW:362.416846752167
CID:2614113
PubChem ID:14140465
Update Time:2025-04-21
[4-[4-[4-(hydroxymethyl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]methanol Chemical and Physical Properties
Names and Identifiers
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- [4-[4-[4-(hydroxymethyl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]methanol
- ONOCNPSPNURGNB-UHFFFAOYSA-N
- DTXSID40556430
- 1,4-bis(2-methoxy-4-hydroxymethylphenoxy) butane
- SCHEMBL9706223
- 116118-12-8
- {Butane-1,4-diylbis[oxy(3-methoxy-4,1-phenylene)]}dimethanol
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- Inchi： 1S/C20H26O6/c1-23-19-11-15(13-21)5-7-17(19)25-9-3-4-10-26-18-8-6-16(14-22)12-20(18)24-2/h5-8,11-12,21-22H,3-4,9-10,13-14H2,1-2H3
- InChI Key： ONOCNPSPNURGNB-UHFFFAOYSA-N
- SMILES： O(C1C=CC(CO)=CC=1OC)CCCCOC1C=CC(CO)=CC=1OC
Computed Properties
- Exact Mass: 362.17293854Da
- Monoisotopic Mass: 362.17293854Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 11
- Complexity: 332
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 77.4?2
[4-[4-[4-(hydroxymethyl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]methanol Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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