1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one

C16H16O3S — CID 64635704

IUPAC1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one
SMILESCOc1ccccc1S(=O)CC(=O)Cc1ccccc1
InChIInChI=1S/C16H16O3S/c1-19-15-9-5-6-10-16(15)20(18)12-14(17)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyAZFWOMDQDNAJQB-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.61
Rot. Bonds6

About 1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one

1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one (PubChem CID 64635704) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one
PubChem CID64635704
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one
SMILESCOc1ccccc1S(=O)CC(=O)Cc1ccccc1
InChIInChI=1S/C16H16O3S/c1-19-15-9-5-6-10-16(15)20(18)12-14(17)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyAZFWOMDQDNAJQB-UHFFFAOYSA-N
XLogP2.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64635705
tert-butyl 2-[(S)-(2-methoxyphenyl)sulfinyl]acetate
CID 138538379
2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 61290747
1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone
CID 64636460
5-(2-methoxyphenyl)sulfinylpentanoic acid
CID 61290365
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide
CID 61289994
methyl 3-(2-methoxyphenyl)sulfinyl-2,2-dimethylpropanoate
CID 79620325
2-fluoro-4-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 106700638
2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794367
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-methoxybenzenesulfinic acid;zinc
CID 175016195

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one?
The IUPAC name of 1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one (CID 64635704) is 1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one is COc1ccccc1S(=O)CC(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one?
The InChIKey is AZFWOMDQDNAJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-19-15-9-5-6-10-16(15)20(18)12-14(17)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one?
1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one has a molecular weight of 288.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one is sourced from PubChem (CID 64635704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).