2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one

C17H17ClOS — CID 103289074

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)SCc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClOS/c1-12-7-9-14(10-8-12)17(19)13(2)20-11-15-5-3-4-6-16(15)18/h3-10,13H,11H2,1-2H3
InChIKeyGVNZOSADLREDGV-UHFFFAOYSA-N
MW304.84 g/mol
LogP5.15
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one

2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one (PubChem CID 103289074) has the molecular formula C17H17ClOS and a molecular weight of 304.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one
PubChem CID103289074
Molecular FormulaC17H17ClOS
Molecular Weight304.84 g/mol
Exact Mass304.07
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)SCc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClOS/c1-12-7-9-14(10-8-12)17(19)13(2)20-11-15-5-3-4-6-16(15)18/h3-10,13H,11H2,1-2H3
InChIKeyGVNZOSADLREDGV-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.84
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one 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

2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one
CID 115569366
methyl 2-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 78842701
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038326
(2S)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038325
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9366100
methyl 3-[(2-chlorophenyl)methylsulfanyl]-2-methylbutanoate
CID 103287985
2-[(2-chlorophenyl)methylsulfanyl]-2-fluoroacetic acid
CID 103288030
1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
CID 99825904
2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one
CID 43218535
2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43413028
(2R)-N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 41259137

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one (CID 103289074) is 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)SCc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one?
The InChIKey is GVNZOSADLREDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClOS/c1-12-7-9-14(10-8-12)17(19)13(2)20-11-15-5-3-4-6-16(15)18/h3-10,13H,11H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one?
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one has a molecular weight of 304.84 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 103289074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).