(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone

C20H15ClOS — CID 139753747

IUPAC(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H15ClOS/c21-18-12-10-17(11-13-18)20(22)16-8-6-15(7-9-16)14-23-19-4-2-1-3-5-19/h1-13H,14H2
InChIKeyUVMLXRRQWQIZTM-UHFFFAOYSA-N
MW338.86 g/mol
LogP5.86
Rot. Bonds5

About (4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone

(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone (PubChem CID 139753747) has the molecular formula C20H15ClOS and a molecular weight of 338.86 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone
PubChem CID139753747
Molecular FormulaC20H15ClOS
Molecular Weight338.86 g/mol
Exact Mass338.05
IUPAC Name(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H15ClOS/c21-18-12-10-17(11-13-18)20(22)16-8-6-15(7-9-16)14-23-19-4-2-1-3-5-19/h1-13H,14H2
InChIKeyUVMLXRRQWQIZTM-UHFFFAOYSA-N
XLogP5.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.86
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 46763987
N'-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyridine-2-carbohydrazide
CID 24537705
phenyl-[4-[4-(phenylsulfanylmethyl)benzoyl]piperazin-1-yl]methanone
CID 112792143
4-[(4-chlorophenyl)sulfanylmethyl]-N-propan-2-ylbenzamide
CID 27648094
N-tert-butyl-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7987976
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
[4-(phenylsulfanylmethyl)phenyl]methanol
CID 59255239
N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669
N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2899761
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 2119073

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone (CID 139753747) is (4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone?
The InChIKey is UVMLXRRQWQIZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClOS/c21-18-12-10-17(11-13-18)20(22)16-8-6-15(7-9-16)14-23-19-4-2-1-3-5-19/h1-13H,14H2.
What are the key properties of (4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone?
(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone has a molecular weight of 338.86 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone is sourced from PubChem (CID 139753747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).