1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol

C17H19ClOS — CID 66143568

IUPAC1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(CC(O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClOS/c1-12-7-13(2)9-14(8-12)10-16(19)11-20-17-5-3-15(18)4-6-17/h3-9,16,19H,10-11H2,1-2H3
InChIKeyBXLVDBFSGNARPL-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol

1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol (PubChem CID 66143568) has the molecular formula C17H19ClOS and a molecular weight of 306.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
PubChem CID66143568
Molecular FormulaC17H19ClOS
Molecular Weight306.86 g/mol
Exact Mass306.08
IUPAC Name1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(CC(O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClOS/c1-12-7-13(2)9-14(8-12)10-16(19)11-20-17-5-3-15(18)4-6-17/h3-9,16,19H,10-11H2,1-2H3
InChIKeyBXLVDBFSGNARPL-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66064590
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66145512
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
CID 105079601
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039620
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931546
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol (CID 66143568) is 1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol is Cc1cc(C)cc(CC(O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol?
The InChIKey is BXLVDBFSGNARPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClOS/c1-12-7-13(2)9-14(8-12)10-16(19)11-20-17-5-3-15(18)4-6-17/h3-9,16,19H,10-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol?
1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol has a molecular weight of 306.86 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 66143568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).