(4-bromo-2-formylphenyl) 3-bromobenzoate

C14H8Br2O3 — CID 4766842

IUPAC(4-bromo-2-formylphenyl) 3-bromobenzoate
SMILESO=Cc1cc(Br)ccc1OC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H8Br2O3/c15-11-3-1-2-9(6-11)14(18)19-13-5-4-12(16)7-10(13)8-17/h1-8H
InChIKeyFJKDQXIWLXCMST-UHFFFAOYSA-N
MW384.02 g/mol
LogP4.24
Rot. Bonds3

About (4-bromo-2-formylphenyl) 3-bromobenzoate

(4-bromo-2-formylphenyl) 3-bromobenzoate (PubChem CID 4766842) has the molecular formula C14H8Br2O3 and a molecular weight of 384.02 g/mol. Its IUPAC name is (4-bromo-2-formylphenyl) 3-bromobenzoate.

Molecular Properties

Compound Name(4-bromo-2-formylphenyl) 3-bromobenzoate
PubChem CID4766842
Molecular FormulaC14H8Br2O3
Molecular Weight384.02 g/mol
Exact Mass381.88
IUPAC Name(4-bromo-2-formylphenyl) 3-bromobenzoate
SMILESO=Cc1cc(Br)ccc1OC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H8Br2O3/c15-11-3-1-2-9(6-11)14(18)19-13-5-4-12(16)7-10(13)8-17/h1-8H
InChIKeyFJKDQXIWLXCMST-UHFFFAOYSA-N
XLogP4.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.02
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-bromo-2-formylphenyl) 3-bromobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-2-formylphenyl) 2-fluorobenzoate
CID 1331601
(4-bromo-2-formylphenyl) 5-bromo-2-ethoxybenzoate
CID 23012866
[4-bromo-2-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 5175869
(4-bromo-2-formylphenyl) 2,2-dimethylpropanoate
CID 134095044
(2-methylphenyl) 3-bromobenzoate
CID 530789
(2-acetylphenyl) 3-bromobenzoate
CID 50850159
[4-bromo-2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
CID 6000864
(2-formylphenyl) 3-bromo-4-methoxybenzoate
CID 4924107
(2,6-dimethoxyphenyl) 3-bromobenzoate
CID 2552301
(4-bromo-2-formylphenyl) (Z)-3-methoxy-2-methylprop-2-enoate
CID 819207
(2,4-diformylphenyl) 4-formylbenzoate
CID 130308399
(4-bromo-2-chlorophenyl) 3-iodobenzoate
CID 4994901

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-formylphenyl) 3-bromobenzoate?
The IUPAC name of (4-bromo-2-formylphenyl) 3-bromobenzoate (CID 4766842) is (4-bromo-2-formylphenyl) 3-bromobenzoate.
What is the SMILES notation for (4-bromo-2-formylphenyl) 3-bromobenzoate?
The canonical SMILES for (4-bromo-2-formylphenyl) 3-bromobenzoate is O=Cc1cc(Br)ccc1OC(=O)c1cccc(Br)c1.
What is the InChIKey of (4-bromo-2-formylphenyl) 3-bromobenzoate?
The InChIKey is FJKDQXIWLXCMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2O3/c15-11-3-1-2-9(6-11)14(18)19-13-5-4-12(16)7-10(13)8-17/h1-8H.
What are the key properties of (4-bromo-2-formylphenyl) 3-bromobenzoate?
(4-bromo-2-formylphenyl) 3-bromobenzoate has a molecular weight of 384.02 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-formylphenyl) 3-bromobenzoate is sourced from PubChem (CID 4766842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).