1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol

C15H15ClO2S — CID 65141873

IUPAC1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol
SMILESCOc1ccc(Cl)cc1C(O)CSc1ccccc1
InChIInChI=1S/C15H15ClO2S/c1-18-15-8-7-11(16)9-13(15)14(17)10-19-12-5-3-2-4-6-12/h2-9,14,17H,10H2,1H3
InChIKeyVCUZSZKMVYUVCP-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.17
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol

1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol (PubChem CID 65141873) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol
PubChem CID65141873
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol
SMILESCOc1ccc(Cl)cc1C(O)CSc1ccccc1
InChIInChI=1S/C15H15ClO2S/c1-18-15-8-7-11(16)9-13(15)14(17)10-19-12-5-3-2-4-6-12/h2-9,14,17H,10H2,1H3
InChIKeyVCUZSZKMVYUVCP-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol
CID 66056664
1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol
CID 62790142
1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol
CID 65141920
2-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylacetic acid
CID 155933420
2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66145325
(1S)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-ol
CID 97293631
2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 82501011
1-(5-chloro-2-methoxyphenyl)-2-(1,3-dioxolan-2-yl)ethanol
CID 103547438
1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
CID 65141877
1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol
CID 106680203
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115
1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol
CID 115802739

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol (CID 65141873) is 1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol is COc1ccc(Cl)cc1C(O)CSc1ccccc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol?
The InChIKey is VCUZSZKMVYUVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c1-18-15-8-7-11(16)9-13(15)14(17)10-19-12-5-3-2-4-6-12/h2-9,14,17H,10H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol?
1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol has a molecular weight of 294.80 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol is sourced from PubChem (CID 65141873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).