(2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone

C16H15ClO6S — CID 57016786

IUPAC(2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(S(C)(=O)=O)cc2Cl)c(O)c1OC
InChIInChI=1S/C16H15ClO6S/c1-22-13-7-6-11(15(19)16(13)23-2)14(18)10-5-4-9(8-12(10)17)24(3,20)21/h4-8,19H,1-3H3
InChIKeyRCKWBGYPEQGQAX-UHFFFAOYSA-N
MW370.81 g/mol
LogP2.70
Rot. Bonds5

About (2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone

(2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone (PubChem CID 57016786) has the molecular formula C16H15ClO6S and a molecular weight of 370.81 g/mol. Its IUPAC name is (2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
PubChem CID57016786
Molecular FormulaC16H15ClO6S
Molecular Weight370.81 g/mol
Exact Mass370.03
IUPAC Name(2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(S(C)(=O)=O)cc2Cl)c(O)c1OC
InChIInChI=1S/C16H15ClO6S/c1-22-13-7-6-11(15(19)16(13)23-2)14(18)10-5-4-9(8-12(10)17)24(3,20)21/h4-8,19H,1-3H3
InChIKeyRCKWBGYPEQGQAX-UHFFFAOYSA-N
XLogP2.70
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dihydroxyphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
CID 66596654
(2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone
CID 174297294
(2-fluorophenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
CID 15750347
(3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone
CID 106860870
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
1-(2-hydroxy-3,4-dimethoxyphenyl)but-2-en-1-one
CID 70517887
(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 127051469
1-(3-chloro-4-methoxyphenyl)sulfonylethanone
CID 117037093
2-(3,5-dichloro-4-pyridinyl)-1-(2-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 24829338
bis(2-methyl-4-methylsulfonylphenyl)methanone
CID 141299848
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2662050
2-hydroxy-6-(3-hydroxy-4-methoxy-2-sulfobenzoyl)-3-methoxybenzenesulfonic acid
CID 21477999

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone?
The IUPAC name of (2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone (CID 57016786) is (2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(S(C)(=O)=O)cc2Cl)c(O)c1OC.
What is the InChIKey of (2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone?
The InChIKey is RCKWBGYPEQGQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO6S/c1-22-13-7-6-11(15(19)16(13)23-2)14(18)10-5-4-9(8-12(10)17)24(3,20)21/h4-8,19H,1-3H3.
What are the key properties of (2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone?
(2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone has a molecular weight of 370.81 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 57016786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).