(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone

C15H13ClO2S — CID 115781785

IUPAC(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccccc2SC)ccc1Cl
InChIInChI=1S/C15H13ClO2S/c1-18-13-9-10(7-8-12(13)16)15(17)11-5-3-4-6-14(11)19-2/h3-9H,1-2H3
InChIKeyIEGNFGXLWPQZJB-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.30
Rot. Bonds4

About (4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone

(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone (PubChem CID 115781785) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
PubChem CID115781785
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccccc2SC)ccc1Cl
InChIInChI=1S/C15H13ClO2S/c1-18-13-9-10(7-8-12(13)16)15(17)11-5-3-4-6-14(11)19-2/h3-9H,1-2H3
InChIKeyIEGNFGXLWPQZJB-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459016
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 115781783
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
CID 79700591
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone (CID 115781785) is (4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone is COc1cc(C(=O)c2ccccc2SC)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone?
The InChIKey is IEGNFGXLWPQZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-18-13-9-10(7-8-12(13)16)15(17)11-5-3-4-6-14(11)19-2/h3-9H,1-2H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone?
(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone has a molecular weight of 292.79 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 115781785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).