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

C17H19ClOS — CID 66153728

IUPAC1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)CSc2ccccc2Cl)cc1C
InChIInChI=1S/C17H19ClOS/c1-12-7-8-14(9-13(12)2)10-15(19)11-20-17-6-4-3-5-16(17)18/h3-9,15,19H,10-11H2,1-2H3
InChIKeyNAPSRCWWTZMDQQ-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.65
Rot. Bonds5

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

1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol (PubChem CID 66153728) has the molecular formula C17H19ClOS and a molecular weight of 306.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol
PubChem CID66153728
Molecular FormulaC17H19ClOS
Molecular Weight306.86 g/mol
Exact Mass306.08
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)CSc2ccccc2Cl)cc1C
InChIInChI=1S/C17H19ClOS/c1-12-7-8-14(9-13(12)2)10-15(19)11-20-17-6-4-3-5-16(17)18/h3-9,15,19H,10-11H2,1-2H3
InChIKeyNAPSRCWWTZMDQQ-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-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142248
4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol
CID 66154688
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66097992
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 106867310
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-ol
CID 114212099
1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 65321613
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66153341
1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143233
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol
CID 103443569

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol (CID 66153728) is 1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol is Cc1ccc(CC(O)CSc2ccccc2Cl)cc1C.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol?
The InChIKey is NAPSRCWWTZMDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClOS/c1-12-7-8-14(9-13(12)2)10-15(19)11-20-17-6-4-3-5-16(17)18/h3-9,15,19H,10-11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol?
1-(2-chlorophenyl)sulfanyl-3-(3,4-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-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 66153728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).