1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone

C17H18O3S — CID 64635886

IUPAC1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone
SMILESCOc1cccc(C(=O)CS(=O)Cc2ccccc2C)c1
InChIInChI=1S/C17H18O3S/c1-13-6-3-4-7-15(13)11-21(19)12-17(18)14-8-5-9-16(10-14)20-2/h3-10H,11-12H2,1-2H3
InChIKeyGQJLRRICCIAPFD-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.14
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone

1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone (PubChem CID 64635886) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone
PubChem CID64635886
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Name1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone
SMILESCOc1cccc(C(=O)CS(=O)Cc2ccccc2C)c1
InChIInChI=1S/C17H18O3S/c1-13-6-3-4-7-15(13)11-21(19)12-17(18)14-8-5-9-16(10-14)20-2/h3-10H,11-12H2,1-2H3
InChIKeyGQJLRRICCIAPFD-UHFFFAOYSA-N
XLogP3.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone 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-butylsulfinyl-1-(3-methoxyphenyl)ethanone
CID 64640337
1-(3-methoxyphenyl)-2-(3-methoxypropylsulfinyl)ethanone
CID 64637403
1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64635946
2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone
CID 116595979
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
2-(4-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
CID 64641307
1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889923
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-(3-bromophenyl)sulfinyl-1-(3-methoxyphenyl)ethanone
CID 64635118
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone (CID 64635886) is 1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone is COc1cccc(C(=O)CS(=O)Cc2ccccc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone?
The InChIKey is GQJLRRICCIAPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S/c1-13-6-3-4-7-15(13)11-21(19)12-17(18)14-8-5-9-16(10-14)20-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone?
1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone has a molecular weight of 302.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanone is sourced from PubChem (CID 64635886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).