3-bromo-2-methoxy-5-phenylbenzoic acid

C14H11BrO3 — CID 50882923

IUPAC3-bromo-2-methoxy-5-phenylbenzoic acid
SMILESCOc1c(Br)cc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C14H11BrO3/c1-18-13-11(14(16)17)7-10(8-12(13)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,16,17)
InChIKeyXRBUKIODTVUADG-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.82
Rot. Bonds3

About 3-bromo-2-methoxy-5-phenylbenzoic acid

3-bromo-2-methoxy-5-phenylbenzoic acid (PubChem CID 50882923) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is 3-bromo-2-methoxy-5-phenylbenzoic acid.

Molecular Properties

Compound Name3-bromo-2-methoxy-5-phenylbenzoic acid
PubChem CID50882923
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name3-bromo-2-methoxy-5-phenylbenzoic acid
SMILESCOc1c(Br)cc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C14H11BrO3/c1-18-13-11(14(16)17)7-10(8-12(13)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,16,17)
InChIKeyXRBUKIODTVUADG-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-methoxy-5-phenylbenzoic acid 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

2-methoxy-5-phenylbenzene-1,3-dicarboxylic acid
CID 117100492
propan-2-yl 3-bromo-2-methoxy-5-phenylbenzoate
CID 50882965
3,5-dibromo-2-methoxybenzoic acid
CID 643392
3-bromo-5-ethyl-2-methoxybenzoic acid
CID 50882139
2-methoxy-6-phenylquinoline-8-carboxylic acid
CID 170992274
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331
2,3-dimethoxy-4-phenylbenzoic acid
CID 22633208
1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone
CID 70275745
3,4-dibromo-2-methoxybenzoic acid
CID 171002402
4-fluoro-1-methoxynaphthalene-2-carboxylic acid
CID 66701185
2-amino-5-phenylbenzoic acid;methyl 2-amino-5-phenylbenzoate
CID 159000318
1,5-dibromo-2-methoxy-3-phenylbenzene
CID 164895909

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methoxy-5-phenylbenzoic acid?
The IUPAC name of 3-bromo-2-methoxy-5-phenylbenzoic acid (CID 50882923) is 3-bromo-2-methoxy-5-phenylbenzoic acid.
What is the SMILES notation for 3-bromo-2-methoxy-5-phenylbenzoic acid?
The canonical SMILES for 3-bromo-2-methoxy-5-phenylbenzoic acid is COc1c(Br)cc(-c2ccccc2)cc1C(=O)O.
What is the InChIKey of 3-bromo-2-methoxy-5-phenylbenzoic acid?
The InChIKey is XRBUKIODTVUADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c1-18-13-11(14(16)17)7-10(8-12(13)15)9-5-3-2-4-6-9/h2-8H,1H3,(H,16,17).
What are the key properties of 3-bromo-2-methoxy-5-phenylbenzoic acid?
3-bromo-2-methoxy-5-phenylbenzoic acid has a molecular weight of 307.14 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methoxy-5-phenylbenzoic acid is sourced from PubChem (CID 50882923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).