(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone

C15H11Br2ClO3 — CID 43805084

IUPAC(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2ccc(Br)cc2Cl)cc1OC
InChIInChI=1S/C15H11Br2ClO3/c1-20-13-6-10(11(17)7-14(13)21-2)15(19)9-4-3-8(16)5-12(9)18/h3-7H,1-2H3
InChIKeyIOQZWWWPJGHFPD-UHFFFAOYSA-N
MW434.51 g/mol
LogP5.11
Rot. Bonds4

About (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone

(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone (PubChem CID 43805084) has the molecular formula C15H11Br2ClO3 and a molecular weight of 434.51 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
PubChem CID43805084
Molecular FormulaC15H11Br2ClO3
Molecular Weight434.51 g/mol
Exact Mass431.88
IUPAC Name(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2ccc(Br)cc2Cl)cc1OC
InChIInChI=1S/C15H11Br2ClO3/c1-20-13-6-10(11(17)7-14(13)21-2)15(19)9-4-3-8(16)5-12(9)18/h3-7H,1-2H3
InChIKeyIOQZWWWPJGHFPD-UHFFFAOYSA-N
XLogP5.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 43805097
methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate
CID 67314174
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone (CID 43805084) is (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone is COc1cc(Br)c(C(=O)c2ccc(Br)cc2Cl)cc1OC.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone?
The InChIKey is IOQZWWWPJGHFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2ClO3/c1-20-13-6-10(11(17)7-14(13)21-2)15(19)9-4-3-8(16)5-12(9)18/h3-7H,1-2H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone?
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone has a molecular weight of 434.51 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 43805084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).