2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol

C21H20O2S — CID 2767182

IUPAC2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol
SMILESCOc1ccc(SCC(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20O2S/c1-23-19-12-14-20(15-13-19)24-16-21(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22H,16H2,1H3
InChIKeyQPZHHNSKPQZKLP-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.72
Rot. Bonds6

About 2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol

2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol (PubChem CID 2767182) has the molecular formula C21H20O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol
PubChem CID2767182
Molecular FormulaC21H20O2S
Molecular Weight336.46 g/mol
Exact Mass336.12
IUPAC Name2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol
SMILESCOc1ccc(SCC(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20O2S/c1-23-19-12-14-20(15-13-19)24-16-21(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22H,16H2,1H3
InChIKeyQPZHHNSKPQZKLP-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
2-(4-methoxyanilino)-1,1-diphenylethanol
CID 101160453
(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol
CID 138965294
1-methoxy-4-(2-phenylethylsulfanyl)benzene
CID 15739781
2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol
CID 11864321
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
ethyl 3,3-bis[(4-methoxyphenyl)sulfanyl]-3-phenylpropanoate
CID 14593774
1,1,5,5-tetrakis(4-methoxyphenyl)-1,5-diphenylpentan-3-ol
CID 70004134
1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol
CID 55068428
N-[3-hydroxy-1-(4-methoxyphenyl)-3,3-diphenylpropyl]acetamide
CID 26745
4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline
CID 171481976
1-methoxy-4-(3-methylbut-2-enylsulfanyl)benzene
CID 10488603

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol (CID 2767182) is 2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol is COc1ccc(SCC(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol?
The InChIKey is QPZHHNSKPQZKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2S/c1-23-19-12-14-20(15-13-19)24-16-21(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22H,16H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol?
2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol has a molecular weight of 336.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-1,1-diphenylethanol is sourced from PubChem (CID 2767182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).