2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone

C18H20O2S — CID 64638938

IUPAC2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)c2ccccc2C)cc1C
InChIInChI=1S/C18H20O2S/c1-12-7-5-6-8-18(12)21(20)11-17(19)16-10-14(3)13(2)9-15(16)4/h5-10H,11H2,1-4H3
InChIKeyKFMJDCJKTXRWBV-UHFFFAOYSA-N
MW300.42 g/mol
LogP3.91
Rot. Bonds4

About 2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone

2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 64638938) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID64638938
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)c2ccccc2C)cc1C
InChIInChI=1S/C18H20O2S/c1-12-7-5-6-8-18(12)21(20)11-17(19)16-10-14(3)13(2)9-15(16)4/h5-10H,11H2,1-4H3
InChIKeyKFMJDCJKTXRWBV-UHFFFAOYSA-N
XLogP3.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638732
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64640545
1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638337
1-(2-methylphenyl)sulfinylbutan-2-one
CID 64641154
2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64639348
1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene
CID 163864796
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
CID 64637654
1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
CID 113449628
3-(2-methylphenyl)sulfinylpropanoic acid
CID 61303171
3-amino-1-(2,4,5-trimethylphenyl)propan-1-one
CID 82281454

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone (CID 64638938) is 2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CS(=O)c2ccccc2C)cc1C.
What is the InChIKey of 2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is KFMJDCJKTXRWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c1-12-7-5-6-8-18(12)21(20)11-17(19)16-10-14(3)13(2)9-15(16)4/h5-10H,11H2,1-4H3.
What are the key properties of 2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone?
2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 300.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 64638938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).