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

C20H17ClOS — CID 146163389

IUPAC2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
SMILESOC(c1ccccc1)C(Sc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H17ClOS/c21-17-11-13-18(14-12-17)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15/h1-14,19-20,22H
InChIKeyOTEFYYRYGPIEEB-UHFFFAOYSA-N
MW340.88 g/mol
LogP5.91
Rot. Bonds5

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

2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol (PubChem CID 146163389) has the molecular formula C20H17ClOS and a molecular weight of 340.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
PubChem CID146163389
Molecular FormulaC20H17ClOS
Molecular Weight340.88 g/mol
Exact Mass340.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
SMILESOC(c1ccccc1)C(Sc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H17ClOS/c21-17-11-13-18(14-12-17)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15/h1-14,19-20,22H
InChIKeyOTEFYYRYGPIEEB-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.88
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
CID 101428948
(1S,2S)-1,2-bis(4-bromophenyl)-2-phenylsulfanylethanol
CID 135006163
(1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol
CID 101161126
2-(4-chlorophenyl)sulfanyl-2-phenylethanol
CID 16735964
(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid
CID 11550833
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone
CID 2797592
(1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol
CID 102509250
(2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide
CID 134930455
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
1,2-diphenylethane-1,2-diol
CID 159073808
methyl (2S,3S)-2-[hydroxy(phenyl)methyl]-3-phenyl-3-phenylsulfanylpropanoate
CID 100933049
2-[(4-chlorophenyl)-phenylsulfanylmethyl]-3-methylbutanal
CID 3847324

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol (CID 146163389) is 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol is OC(c1ccccc1)C(Sc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol?
The InChIKey is OTEFYYRYGPIEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClOS/c21-17-11-13-18(14-12-17)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15/h1-14,19-20,22H.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol?
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol has a molecular weight of 340.88 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol is sourced from PubChem (CID 146163389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).