(2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone

C15H11BrCl2O3 — CID 107987239

IUPAC(2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2Br)c(OC)c1Cl
InChIInChI=1S/C15H11BrCl2O3/c1-20-12-6-5-10(15(21-2)13(12)18)14(19)9-4-3-8(17)7-11(9)16/h3-7H,1-2H3
InChIKeySMHHJSXMXOMVLQ-UHFFFAOYSA-N
MW390.06 g/mol
LogP5.00
Rot. Bonds4

About (2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone

(2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone (PubChem CID 107987239) has the molecular formula C15H11BrCl2O3 and a molecular weight of 390.06 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone
PubChem CID107987239
Molecular FormulaC15H11BrCl2O3
Molecular Weight390.06 g/mol
Exact Mass387.93
IUPAC Name(2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2Br)c(OC)c1Cl
InChIInChI=1S/C15H11BrCl2O3/c1-20-12-6-5-10(15(21-2)13(12)18)14(19)9-4-3-8(17)7-11(9)16/h3-7H,1-2H3
InChIKeySMHHJSXMXOMVLQ-UHFFFAOYSA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.06
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
(3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone
CID 106860870
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
1-(2-bromo-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 107996257
(2-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 107996757
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone (CID 107987239) is (2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(Cl)cc2Br)c(OC)c1Cl.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone?
The InChIKey is SMHHJSXMXOMVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2O3/c1-20-12-6-5-10(15(21-2)13(12)18)14(19)9-4-3-8(17)7-11(9)16/h3-7H,1-2H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone?
(2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone has a molecular weight of 390.06 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 107987239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).