2-(4-chlorophenyl)sulfanyl-2-phenylethanol

C14H13ClOS — CID 16735964

IUPAC2-(4-chlorophenyl)sulfanyl-2-phenylethanol
SMILESOCC(Sc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H13ClOS/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9,14,16H,10H2
InChIKeyFZERIRIAHJFDAL-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.17
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-2-phenylethanol

2-(4-chlorophenyl)sulfanyl-2-phenylethanol (PubChem CID 16735964) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-2-phenylethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-2-phenylethanol
PubChem CID16735964
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-2-phenylethanol
SMILESOCC(Sc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H13ClOS/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9,14,16H,10H2
InChIKeyFZERIRIAHJFDAL-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-phenylsulfanylethanol
CID 11264720
2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol
CID 134966659
3-(4-chlorophenyl)-3-phenylsulfanylpropanoyl chloride
CID 10064016
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
CID 146163389
(3S)-3-(4-chlorophenyl)sulfanyl-3-(4-nitrophenyl)-1-phenylpropan-1-one
CID 7021259
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone
CID 2797592
4-chloro-N-[2-(4-methylphenyl)sulfanyl-2-phenylethyl]benzenesulfonamide
CID 4544366
1-benzhydryl-4-chlorobenzene
CID 13050205
1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene
CID 135063510
(3S)-3-phenyl-3-phenylsulfanylpropanoic acid
CID 3246038
3-(2-chlorophenyl)sulfanyl-3-phenylpropan-1-ol
CID 142895184
(3S)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)sulfanyl-1-phenylpropan-1-one
CID 27017702

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-2-phenylethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-2-phenylethanol (CID 16735964) is 2-(4-chlorophenyl)sulfanyl-2-phenylethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-2-phenylethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-2-phenylethanol is OCC(Sc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-2-phenylethanol?
The InChIKey is FZERIRIAHJFDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9,14,16H,10H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-2-phenylethanol?
2-(4-chlorophenyl)sulfanyl-2-phenylethanol has a molecular weight of 264.78 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-2-phenylethanol is sourced from PubChem (CID 16735964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).