3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid

C15H13BrO3 — CID 63464346

IUPAC3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1OCc1cccc(Br)c1
InChIInChI=1S/C15H13BrO3/c1-10-5-6-12(15(17)18)8-14(10)19-9-11-3-2-4-13(16)7-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKVDOZECHMUVVDF-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.03
Rot. Bonds4

About 3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid

3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid (PubChem CID 63464346) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid
PubChem CID63464346
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1OCc1cccc(Br)c1
InChIInChI=1S/C15H13BrO3/c1-10-5-6-12(15(17)18)8-14(10)19-9-11-3-2-4-13(16)7-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKVDOZECHMUVVDF-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3-bromophenyl)methoxy]-4-methylbenzoic 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

3-[(3-bromophenyl)methoxy]-4-iodobenzoic acid
CID 114103542
3-[(3-bromophenyl)methoxy]-4-nitrobenzoic acid
CID 60711490
3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311939
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650
3-[(4-chlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311750
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
4-methyl-3-(phenylmethoxymethoxy)benzoic acid
CID 102939348
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzoic acid
CID 115962071
3-[(4-bromo-2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20986266
4-[(2,5-dimethylphenoxy)methyl]benzoic acid
CID 7015959
3-[(2-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 113435752
4-[(3-bromophenyl)methoxy]-3-iodo-5-methoxybenzoic acid
CID 91683343

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid (CID 63464346) is 3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1OCc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid?
The InChIKey is KVDOZECHMUVVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-10-5-6-12(15(17)18)8-14(10)19-9-11-3-2-4-13(16)7-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid?
3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid has a molecular weight of 321.17 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid is sourced from PubChem (CID 63464346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).