Cas no 116072-31-2 (2-[5-(2-hydroxy-5-methylphenyl)-1H-pyrrol-2-yl]-4-methylphenol)
![2-[5-(2-hydroxy-5-methylphenyl)-1H-pyrrol-2-yl]-4-methylphenol structure](https://ossimg.kuujia.com/scimg/116500/116072-31-2x500.png)
116072-31-2 structure
Product Name:2-[5-(2-hydroxy-5-methylphenyl)-1H-pyrrol-2-yl]-4-methylphenol
CAS No:116072-31-2
MF:C18H17NO2
MW:279.333084821701
CID:2614043
PubChem ID:13900933
Update Time:2025-04-21
2-[5-(2-hydroxy-5-methylphenyl)-1H-pyrrol-2-yl]-4-methylphenol Chemical and Physical Properties
Names and Identifiers
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- 2-[5-(2-hydroxy-5-methylphenyl)-1H-pyrrol-2-yl]-4-methylphenol
- 116072-31-2
- DTXSID50552105
- 2,2'-(1H-Pyrrole-2,5-diyl)bis(4-methylphenol)
-
- Inchi： 1S/C18H17NO2/c1-11-3-7-17(20)13(9-11)15-5-6-16(19-15)14-10-12(2)4-8-18(14)21/h3-10,19-21H,1-2H3
- InChI Key： LKUGIQLBLJPQCX-UHFFFAOYSA-N
- SMILES： OC1=CC=C(C)C=C1C1=CC=C(C2C(=CC=C(C)C=2)O)N1
Computed Properties
- Exact Mass: 279.125928785Da
- Monoisotopic Mass: 279.125928785Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 316
- 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: 4.1
- Topological Polar Surface Area: 56.3?2
2-[5-(2-hydroxy-5-methylphenyl)-1H-pyrrol-2-yl]-4-methylphenol Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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