2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol

C15H15ClOS — CID 66145325

IUPAC2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CSc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClOS/c1-11-4-2-3-5-14(11)15(17)10-18-13-8-6-12(16)7-9-13/h2-9,15,17H,10H2,1H3
InChIKeyQGUYCBSLNAUJSN-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.47
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol

2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol (PubChem CID 66145325) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
PubChem CID66145325
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CSc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClOS/c1-11-4-2-3-5-14(11)15(17)10-18-13-8-6-12(16)7-9-13/h2-9,15,17H,10H2,1H3
InChIKeyQGUYCBSLNAUJSN-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271619
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238
2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66056466
1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol
CID 65141873
2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071
1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
CID 66064203
2-(4-chlorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143448
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881089
1-(2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61228127
1-(2-fluoro-5-methylphenyl)-2-phenylsulfanylethanol
CID 65141877
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol
CID 114744615

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol (CID 66145325) is 2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol is Cc1ccccc1C(O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol?
The InChIKey is QGUYCBSLNAUJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-11-4-2-3-5-14(11)15(17)10-18-13-8-6-12(16)7-9-13/h2-9,15,17H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol?
2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol has a molecular weight of 278.80 g/mol, XLogP of 4.47, 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-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 66145325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).