(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone

C15H12Cl2O3 — CID 105076168

IUPAC(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Cl)c(Cl)c2)c1OC
InChIInChI=1S/C15H12Cl2O3/c1-19-13-5-3-4-10(15(13)20-2)14(18)9-6-7-11(16)12(17)8-9/h3-8H,1-2H3
InChIKeyXPVINSKPPJLKAZ-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.24
Rot. Bonds4

About (3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone

(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone (PubChem CID 105076168) has the molecular formula C15H12Cl2O3 and a molecular weight of 311.16 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
PubChem CID105076168
Molecular FormulaC15H12Cl2O3
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(Cl)c(Cl)c2)c1OC
InChIInChI=1S/C15H12Cl2O3/c1-19-13-5-3-4-10(15(13)20-2)14(18)9-6-7-11(16)12(17)8-9/h3-8H,1-2H3
InChIKeyXPVINSKPPJLKAZ-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(2,3-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105122790
1-(3,4-dichlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
CID 5063512
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
CID 105056345
(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
CID 43339771
(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 115813439
[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone
CID 102013038
(2-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459016

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone (CID 105076168) is (3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(Cl)c(Cl)c2)c1OC.
What is the InChIKey of (3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone?
The InChIKey is XPVINSKPPJLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O3/c1-19-13-5-3-4-10(15(13)20-2)14(18)9-6-7-11(16)12(17)8-9/h3-8H,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone?
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone has a molecular weight of 311.16 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone is sourced from PubChem (CID 105076168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).