1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone

C16H16O3S — CID 10108176

IUPAC1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2cccc(OC)c2)cc1
InChIInChI=1S/C16H16O3S/c1-18-13-8-6-12(7-9-13)16(17)11-20-15-5-3-4-14(10-15)19-2/h3-10H,11H2,1-2H3
InChIKeyCXSKVBXJDSVPKS-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.68
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone

1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone (PubChem CID 10108176) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone
PubChem CID10108176
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2cccc(OC)c2)cc1
InChIInChI=1S/C16H16O3S/c1-18-13-8-6-12(7-9-13)16(17)11-20-15-5-3-4-14(10-15)19-2/h3-10H,11H2,1-2H3
InChIKeyCXSKVBXJDSVPKS-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4'-Methoxychalcone
CID 641818
4-Methoxychalcone
CID 641819
4,4'-Dimethoxychalcone
CID 5377817
4'-Methoxy-2-(phenylsulfonyl)acetophenone
CID 4271571
Vat Orange 5
CID 6263734
3,4'-Dimethoxychalcone
CID 5346030
4'-Methoxy-3-phenylpropiophenone
CID 245554
1-(4-Methoxyphenyl)-4-phenylbutan-1-one
CID 44589436
1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethanone
CID 16750524
2-(4-methoxyphenyl)-4H-thiochromen-4-one
CID 2324877
3-(Benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenyl-1-propanone
CID 3135155
1-(4-Ethoxyphenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one
CID 5378514

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone (CID 10108176) is 1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone is COc1ccc(C(=O)CSc2cccc(OC)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone?
The InChIKey is CXSKVBXJDSVPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-18-13-8-6-12(7-9-13)16(17)11-20-15-5-3-4-14(10-15)19-2/h3-10H,11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone?
1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone has a molecular weight of 288.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylethanone is sourced from PubChem (CID 10108176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).