1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone

C16H16O2S — CID 12729207

IUPAC1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone
SMILESCc1ccc(S(=O)CC(=O)c2ccccc2C)cc1
InChIInChI=1S/C16H16O2S/c1-12-7-9-14(10-8-12)19(18)11-16(17)15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3
InChIKeyDXPGIRCYPAMDSC-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.29
Rot. Bonds4

About 1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone

1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone (PubChem CID 12729207) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone
PubChem CID12729207
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone
SMILESCc1ccc(S(=O)CC(=O)c2ccccc2C)cc1
InChIInChI=1S/C16H16O2S/c1-12-7-9-14(10-8-12)19(18)11-16(17)15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3
InChIKeyDXPGIRCYPAMDSC-UHFFFAOYSA-N
XLogP3.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64636301
1-(2-methylphenyl)-2-(4-nitrophenyl)sulfinylethanone
CID 64638918
2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64635334
2-[(S)-(4-methylphenyl)sulfinyl]acetic acid
CID 54403067
1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636296
2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
1-(2,5-dibromothiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636293
N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide
CID 10867970
methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10751029
1-chloro-3-(4-methylphenyl)sulfinylpropan-2-one
CID 13495347
3-(2-methylphenyl)-3-oxopropanal
CID 15648082

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone?
The IUPAC name of 1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone (CID 12729207) is 1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone?
The canonical SMILES for 1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone is Cc1ccc(S(=O)CC(=O)c2ccccc2C)cc1.
What is the InChIKey of 1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone?
The InChIKey is DXPGIRCYPAMDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-12-7-9-14(10-8-12)19(18)11-16(17)15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone?
1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone has a molecular weight of 272.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone is sourced from PubChem (CID 12729207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).