2-bromo-4-methoxy-5-phenylmethoxybenzoic acid

C15H13BrO4 — CID 11056839

IUPAC2-bromo-4-methoxy-5-phenylmethoxybenzoic acid
SMILESCOc1cc(Br)c(C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C15H13BrO4/c1-19-13-8-12(16)11(15(17)18)7-14(13)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyFBTDEMXQQIWHKX-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.73
Rot. Bonds5

About 2-bromo-4-methoxy-5-phenylmethoxybenzoic acid

2-bromo-4-methoxy-5-phenylmethoxybenzoic acid (PubChem CID 11056839) has the molecular formula C15H13BrO4 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-bromo-4-methoxy-5-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name2-bromo-4-methoxy-5-phenylmethoxybenzoic acid
PubChem CID11056839
Molecular FormulaC15H13BrO4
Molecular Weight337.17 g/mol
Exact Mass336.00
IUPAC Name2-bromo-4-methoxy-5-phenylmethoxybenzoic acid
SMILESCOc1cc(Br)c(C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C15H13BrO4/c1-19-13-8-12(16)11(15(17)18)7-14(13)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyFBTDEMXQQIWHKX-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 2-bromo-4-methoxy-5-phenylmethoxybenzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-5-phenylmethoxybenzoic acid?
The IUPAC name of 2-bromo-4-methoxy-5-phenylmethoxybenzoic acid (CID 11056839) is 2-bromo-4-methoxy-5-phenylmethoxybenzoic acid.
What is the SMILES notation for 2-bromo-4-methoxy-5-phenylmethoxybenzoic acid?
The canonical SMILES for 2-bromo-4-methoxy-5-phenylmethoxybenzoic acid is COc1cc(Br)c(C(=O)O)cc1OCc1ccccc1.
What is the InChIKey of 2-bromo-4-methoxy-5-phenylmethoxybenzoic acid?
The InChIKey is FBTDEMXQQIWHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO4/c1-19-13-8-12(16)11(15(17)18)7-14(13)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-bromo-4-methoxy-5-phenylmethoxybenzoic acid?
2-bromo-4-methoxy-5-phenylmethoxybenzoic 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 2-bromo-4-methoxy-5-phenylmethoxybenzoic acid is sourced from PubChem (CID 11056839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).