2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol

C15H15ClOS — CID 66147302

IUPAC2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CSc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClOS/c1-11-5-7-12(8-6-11)15(17)10-18-14-4-2-3-13(16)9-14/h2-9,15,17H,10H2,1H3
InChIKeyQMJSDSPGPNFIIS-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.47
Rot. Bonds4

About 2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol

2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol (PubChem CID 66147302) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
PubChem CID66147302
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CSc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClOS/c1-11-5-7-12(8-6-11)15(17)10-18-14-4-2-3-13(16)9-14/h2-9,15,17H,10H2,1H3
InChIKeyQMJSDSPGPNFIIS-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-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 66148345
1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 107915663
1-(3-chloro-4-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 66148550
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
CID 64633518
2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66148548
4-(3-chlorophenyl)sulfanylbutane-1,3-diol
CID 104827170
2-(3-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanol
CID 66146044
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
CID 102244244
1-(3-chlorophenyl)sulfanyl-3-ethyl-3-methoxypentan-2-ol
CID 116779702
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol
CID 60981441
1-(3-aminophenyl)-2-(3-methylphenyl)sulfanylethanol
CID 62267411

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol (CID 66147302) is 2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)CSc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol?
The InChIKey is QMJSDSPGPNFIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-11-5-7-12(8-6-11)15(17)10-18-14-4-2-3-13(16)9-14/h2-9,15,17H,10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol?
2-(3-chlorophenyl)sulfanyl-1-(4-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-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 66147302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).