3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid

C15H13BrO4 — CID 61391310

IUPAC3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1cccc(COc2c(Br)cccc2C(=O)O)c1
InChIInChI=1S/C15H13BrO4/c1-19-11-5-2-4-10(8-11)9-20-14-12(15(17)18)6-3-7-13(14)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyMYRYUTUMKZLKBJ-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.73
Rot. Bonds5

About 3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid

3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid (PubChem CID 61391310) has the molecular formula C15H13BrO4 and a molecular weight of 337.17 g/mol. Its IUPAC name is 3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid
PubChem CID61391310
Molecular FormulaC15H13BrO4
Molecular Weight337.17 g/mol
Exact Mass336.00
IUPAC Name3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1cccc(COc2c(Br)cccc2C(=O)O)c1
InChIInChI=1S/C15H13BrO4/c1-19-11-5-2-4-10(8-11)9-20-14-12(15(17)18)6-3-7-13(14)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyMYRYUTUMKZLKBJ-UHFFFAOYSA-N
XLogP3.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic 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-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane
CID 59244002
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid
CID 65478431
2-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 61379650
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959
3-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 103038113
(3-methoxyphenyl)methyl 2-amino-3-bromobenzoate
CID 61235590
3-bromo-5-[(3-methoxyphenyl)methoxy]benzoic acid
CID 102823525
2-[(2-bromo-5-methoxyphenyl)methoxy]-3-methylbenzoic acid
CID 65322657
2-[(3-bromo-4-methoxyphenyl)methoxy]-3-fluorobenzoic acid
CID 115956053
1-[3-amino-5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanone
CID 116541394
3-bromo-2-[(2-methylphenyl)methoxy]benzoic acid
CID 61391214

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid?
The IUPAC name of 3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid (CID 61391310) is 3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid?
The canonical SMILES for 3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid is COc1cccc(COc2c(Br)cccc2C(=O)O)c1.
What is the InChIKey of 3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid?
The InChIKey is MYRYUTUMKZLKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO4/c1-19-11-5-2-4-10(8-11)9-20-14-12(15(17)18)6-3-7-13(14)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid?
3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid has a molecular weight of 337.17 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(3-methoxyphenyl)methoxy]benzoic acid is sourced from PubChem (CID 61391310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).