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

C15H12Br2O3 — CID 114368506

IUPAC(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)ccc2Br)cc1OC
InChIInChI=1S/C15H12Br2O3/c1-19-13-6-3-9(7-14(13)20-2)15(18)11-8-10(16)4-5-12(11)17/h3-8H,1-2H3
InChIKeySNXJHZAOFTWMMF-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.46
Rot. Bonds4

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

(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 114368506) has the molecular formula C15H12Br2O3 and a molecular weight of 400.07 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
PubChem CID114368506
Molecular FormulaC15H12Br2O3
Molecular Weight400.07 g/mol
Exact Mass397.92
IUPAC Name(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)ccc2Br)cc1OC
InChIInChI=1S/C15H12Br2O3/c1-19-13-6-3-9(7-14(13)20-2)15(18)11-8-10(16)4-5-12(11)17/h3-8H,1-2H3
InChIKeySNXJHZAOFTWMMF-UHFFFAOYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785475
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
CID 17094413
(2-bromo-3,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 129012233
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone
CID 170985664
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
CID 21204048
(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919039

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone (CID 114368506) is (2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2cc(Br)ccc2Br)cc1OC.
What is the InChIKey of (2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is SNXJHZAOFTWMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O3/c1-19-13-6-3-9(7-14(13)20-2)15(18)11-8-10(16)4-5-12(11)17/h3-8H,1-2H3.
What are the key properties of (2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone?
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 400.07 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 114368506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).