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

C15H11Br2ClO3 — CID 105056365

IUPAC(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(Br)c2Cl)c(OC)cc1Br
InChIInChI=1S/C15H11Br2ClO3/c1-20-12-7-11(17)13(21-2)6-9(12)15(19)8-4-3-5-10(16)14(8)18/h3-7H,1-2H3
InChIKeyJAEIYHQSPGRVDK-UHFFFAOYSA-N
MW434.51 g/mol
LogP5.11
Rot. Bonds4

About (3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone

(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone (PubChem CID 105056365) has the molecular formula C15H11Br2ClO3 and a molecular weight of 434.51 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
PubChem CID105056365
Molecular FormulaC15H11Br2ClO3
Molecular Weight434.51 g/mol
Exact Mass431.88
IUPAC Name(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(Br)c2Cl)c(OC)cc1Br
InChIInChI=1S/C15H11Br2ClO3/c1-20-12-7-11(17)13(21-2)6-9(12)15(19)8-4-3-5-10(16)14(8)18/h3-7H,1-2H3
InChIKeyJAEIYHQSPGRVDK-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

(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 105056401
(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
CID 105056345
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
CID 105056463
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193
(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 112580781
[2-(3-bromo-2,5,6-trimethoxybenzoyl)phenyl]-(2,6-dichlorophenyl)methanone
CID 141016409
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
CID 141141548

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone (CID 105056365) is (3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone is COc1cc(C(=O)c2cccc(Br)c2Cl)c(OC)cc1Br.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone?
The InChIKey is JAEIYHQSPGRVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2ClO3/c1-20-12-7-11(17)13(21-2)6-9(12)15(19)8-4-3-5-10(16)14(8)18/h3-7H,1-2H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone?
(3-bromo-2-chlorophenyl)-(4-bromo-2,5-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 (3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 105056365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).