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

C21H20O2S — CID 101428948

IUPAC(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
SMILESCOc1ccc(S[C@@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C21H20O2S/c1-23-18-12-14-19(15-13-18)24-21(17-10-6-3-7-11-17)20(22)16-8-4-2-5-9-16/h2-15,20-22H,1H3/t20-,21-/m0/s1
InChIKeyNPOXYHSIGMIARI-SFTDATJTSA-N
MW336.46 g/mol
LogP5.26
Rot. Bonds6

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

(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol (PubChem CID 101428948) has the molecular formula C21H20O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol.

Molecular Properties

Compound Name(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
PubChem CID101428948
Molecular FormulaC21H20O2S
Molecular Weight336.46 g/mol
Exact Mass336.12
IUPAC Name(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
SMILESCOc1ccc(S[C@@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C21H20O2S/c1-23-18-12-14-19(15-13-18)24-21(17-10-6-3-7-11-17)20(22)16-8-4-2-5-9-16/h2-15,20-22H,1H3/t20-,21-/m0/s1
InChIKeyNPOXYHSIGMIARI-SFTDATJTSA-N
XLogP5.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017416
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
CID 146163389
(1S,2S)-1,2-bis(4-bromophenyl)-2-phenylsulfanylethanol
CID 135006163
methyl (2S,3S)-2-[hydroxy(phenyl)methyl]-3-phenyl-3-phenylsulfanylpropanoate
CID 100933049
1-bromo-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene
CID 134849370
(1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol
CID 46210919
(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-3-phenylpropan-1-one
CID 101439265
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
(1S,2R)-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-1-phenylpropan-1-ol
CID 118706367

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol?
The IUPAC name of (1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol (CID 101428948) is (1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol.
What is the SMILES notation for (1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol?
The canonical SMILES for (1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol is COc1ccc(S[C@@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol?
The InChIKey is NPOXYHSIGMIARI-SFTDATJTSA-N. The full InChI is InChI=1S/C21H20O2S/c1-23-18-12-14-19(15-13-18)24-21(17-10-6-3-7-11-17)20(22)16-8-4-2-5-9-16/h2-15,20-22H,1H3/t20-,21-/m0/s1.
What are the key properties of (1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol?
(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol has a molecular weight of 336.46 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol is sourced from PubChem (CID 101428948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).