Cas no 101787-90-0 (1,2-Benzenediol, 4-[1-ethyl-2-(4-hydroxyphenyl)butyl]-)
![1,2-Benzenediol, 4-[1-ethyl-2-(4-hydroxyphenyl)butyl]- structure](https://ossimg.kuujia.com/scimg/102000/101787-90-0x500.png)
101787-90-0 structure
Product Name:1,2-Benzenediol, 4-[1-ethyl-2-(4-hydroxyphenyl)butyl]-
CAS No:101787-90-0
MF:C18H22O3
MW:286.365485668182
CID:1134770
PubChem ID:233716
Update Time:2025-04-20
1,2-Benzenediol, 4-[1-ethyl-2-(4-hydroxyphenyl)butyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 4-[1-ethyl-2-(4-hydroxyphenyl)butyl]-
- SCHEMBL13606227
- 1,2-Benzenediol, 4-(1-ethyl-2-(4-hydroxyphenyl)butyl)-, (R*,S*)-
- 4-((3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl)benzene-1,2-diol
- CHEMBL1939837
- 101787-90-0
- 82382-19-2
- NSC-32653
- 4-(4-(4-Hydroxyphenyl)hexan-3-yl)benzene-1,2-diol
- 4-[4-(4-hydroxyphenyl)hexan-3-yl]benzene-1,2-diol
- NSC32653
-
- Inchi： 1S/C18H22O3/c1-3-15(12-5-8-14(19)9-6-12)16(4-2)13-7-10-17(20)18(21)11-13/h5-11,15-16,19-21H,3-4H2,1-2H3
- InChI Key： KWYPVFQNTRXTSH-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(=C1)C(CC)C(C1C=CC(=CC=1)O)CC)O
Computed Properties
- Exact Mass: 286.15696
- Monoisotopic Mass: 286.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 299
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- PSA: 60.69
1,2-Benzenediol, 4-[1-ethyl-2-(4-hydroxyphenyl)butyl]- Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
101787-90-0 (1,2-Benzenediol, 4-[1-ethyl-2-(4-hydroxyphenyl)butyl]-) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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