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

C15H11Br3O3 — CID 107977574

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)cc(Br)c2)c(OC)c1Br
InChIInChI=1S/C15H11Br3O3/c1-20-12-4-3-11(15(21-2)13(12)18)14(19)8-5-9(16)7-10(17)6-8/h3-7H,1-2H3
InChIKeySUFFHTPGMNAUAH-UHFFFAOYSA-N
MW478.96 g/mol
LogP5.22
Rot. Bonds4

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

(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone (PubChem CID 107977574) has the molecular formula C15H11Br3O3 and a molecular weight of 478.96 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
PubChem CID107977574
Molecular FormulaC15H11Br3O3
Molecular Weight478.96 g/mol
Exact Mass475.83
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)cc(Br)c2)c(OC)c1Br
InChIInChI=1S/C15H11Br3O3/c1-20-12-4-3-11(15(21-2)13(12)18)14(19)8-5-9(16)7-10(17)6-8/h3-7H,1-2H3
InChIKeySUFFHTPGMNAUAH-UHFFFAOYSA-N
XLogP5.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.96
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dibromophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107976766
(3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 103524405
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718
(2-bromo-3,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 129012233
1-(3-bromo-2,4-dimethoxyphenyl)-2-methoxybutan-1-one
CID 103523128
(3-bromo-2,4-dimethoxyphenyl)-(2H-triazol-4-yl)methanone
CID 103523100
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)propan-1-one
CID 84814233
(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 103523114
(3-bromo-2,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 103524389
(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 103524383
1-(3-bromo-2,4-dimethoxyphenyl)-2-methoxy-2-methylbutan-1-one
CID 103523137
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)-2-methylbutan-1-one
CID 103524317

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone (CID 107977574) is (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone is COc1ccc(C(=O)c2cc(Br)cc(Br)c2)c(OC)c1Br.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone?
The InChIKey is SUFFHTPGMNAUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br3O3/c1-20-12-4-3-11(15(21-2)13(12)18)14(19)8-5-9(16)7-10(17)6-8/h3-7H,1-2H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone?
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone has a molecular weight of 478.96 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone is sourced from PubChem (CID 107977574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).