2-(3-methylphenyl)sulfinyl-1-phenylethanone

C15H14O2S — CID 64639967

IUPAC2-(3-methylphenyl)sulfinyl-1-phenylethanone
SMILESCc1cccc(S(=O)CC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14O2S/c1-12-6-5-9-14(10-12)18(17)11-15(16)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyKEKPXFARXGRZKN-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.99
Rot. Bonds4

About 2-(3-methylphenyl)sulfinyl-1-phenylethanone

2-(3-methylphenyl)sulfinyl-1-phenylethanone (PubChem CID 64639967) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfinyl-1-phenylethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfinyl-1-phenylethanone
PubChem CID64639967
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-(3-methylphenyl)sulfinyl-1-phenylethanone
SMILESCc1cccc(S(=O)CC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14O2S/c1-12-6-5-9-14(10-12)18(17)11-15(16)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyKEKPXFARXGRZKN-UHFFFAOYSA-N
XLogP2.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568
2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64638502
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639371
1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one
CID 64640763
2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282
2-[(3-methylphenyl)sulfinylmethyl]benzoic acid
CID 61303781
4-(3-methylphenyl)-4-oxobutanoic acid
CID 2760002
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64637434
2-(3-methylbutan-2-ylsulfinyl)-1-(3-methylphenyl)ethanone
CID 107767608
bis(3-methylphenyl)methanone
CID 17848

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfinyl-1-phenylethanone?
The IUPAC name of 2-(3-methylphenyl)sulfinyl-1-phenylethanone (CID 64639967) is 2-(3-methylphenyl)sulfinyl-1-phenylethanone.
What is the SMILES notation for 2-(3-methylphenyl)sulfinyl-1-phenylethanone?
The canonical SMILES for 2-(3-methylphenyl)sulfinyl-1-phenylethanone is Cc1cccc(S(=O)CC(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfinyl-1-phenylethanone?
The InChIKey is KEKPXFARXGRZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-12-6-5-9-14(10-12)18(17)11-15(16)13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 2-(3-methylphenyl)sulfinyl-1-phenylethanone?
2-(3-methylphenyl)sulfinyl-1-phenylethanone has a molecular weight of 258.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)sulfinyl-1-phenylethanone is sourced from PubChem (CID 64639967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).