(1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol

C14H13ClOS — CID 63835061

IUPAC(1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClOS/c1-10(16)11-5-7-13(8-6-11)17-14-4-2-3-12(15)9-14/h2-10,16H,1H3/t10-/m1/s1
InChIKeyPPKXTCZESLFCKN-SNVBAGLBSA-N
MW264.78 g/mol
LogP4.54
Rot. Bonds3

About (1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol

(1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol (PubChem CID 63835061) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is (1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol
PubChem CID63835061
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name(1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClOS/c1-10(16)11-5-7-13(8-6-11)17-14-4-2-3-12(15)9-14/h2-10,16H,1H3/t10-/m1/s1
InChIKeyPPKXTCZESLFCKN-SNVBAGLBSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine
CID 63371446
1-chloro-3-(4-methylphenyl)sulfanylbenzene
CID 91027886
1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 55239481
1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814615
1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586532
[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone
CID 70168814
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
2-(3-chlorophenyl)sulfanylbenzenethiol
CID 57165343
(1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol
CID 78951361
1-[4-(2-methylphenyl)sulfanylphenyl]ethanol
CID 63835400
3-(3-chlorophenyl)sulfanyl-N-methylaniline
CID 117033156
(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 78938952

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol (CID 63835061) is (1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol is C[C@@H](O)c1ccc(Sc2cccc(Cl)c2)cc1.
What is the InChIKey of (1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol?
The InChIKey is PPKXTCZESLFCKN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13ClOS/c1-10(16)11-5-7-13(8-6-11)17-14-4-2-3-12(15)9-14/h2-10,16H,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol?
(1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol has a molecular weight of 264.78 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 63835061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).