1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol

C12H15ClOS — CID 66142592

IUPAC1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol
SMILESOC(CSc1ccc(Cl)cc1)CC1CC1
InChIInChI=1S/C12H15ClOS/c13-10-3-5-12(6-4-10)15-8-11(14)7-9-1-2-9/h3-6,9,11,14H,1-2,7-8H2
InChIKeyJXACDOBYTODOKA-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol

1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol (PubChem CID 66142592) has the molecular formula C12H15ClOS and a molecular weight of 242.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol
PubChem CID66142592
Molecular FormulaC12H15ClOS
Molecular Weight242.77 g/mol
Exact Mass242.05
IUPAC Name1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol
SMILESOC(CSc1ccc(Cl)cc1)CC1CC1
InChIInChI=1S/C12H15ClOS/c13-10-3-5-12(6-4-10)15-8-11(14)7-9-1-2-9/h3-6,9,11,14H,1-2,7-8H2
InChIKeyJXACDOBYTODOKA-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066361
1-cyclopropyl-3-phenylsulfanylpropan-2-ol
CID 65142399
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
1-(4-bromophenyl)sulfanyl-3-(oxan-4-yl)propan-2-ol
CID 66054289
1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143233
1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161084
1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158873
1-(4-chlorophenyl)sulfanyl-N-methyl-3-(oxan-4-yl)propan-2-amine
CID 66142608
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 115983590
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224
1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol
CID 65457870
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931546

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol (CID 66142592) is 1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol is OC(CSc1ccc(Cl)cc1)CC1CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol?
The InChIKey is JXACDOBYTODOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOS/c13-10-3-5-12(6-4-10)15-8-11(14)7-9-1-2-9/h3-6,9,11,14H,1-2,7-8H2.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol?
1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol has a molecular weight of 242.77 g/mol, XLogP of 3.59, 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-cyclopropylpropan-2-ol is sourced from PubChem (CID 66142592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).