4-[(2-bromophenoxy)methyl]benzoic acid

C14H11BrO3 — CID 585015

IUPAC4-[(2-bromophenoxy)methyl]benzoic acid
SMILESO=C(O)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C14H11BrO3/c15-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyRSOSIENOPSGTLO-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.73
Rot. Bonds4

About 4-[(2-bromophenoxy)methyl]benzoic acid

4-[(2-bromophenoxy)methyl]benzoic acid (PubChem CID 585015) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]benzoic acid
PubChem CID585015
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name4-[(2-bromophenoxy)methyl]benzoic acid
SMILESO=C(O)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C14H11BrO3/c15-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyRSOSIENOPSGTLO-UHFFFAOYSA-N
XLogP3.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2-bromophenoxy)methyl]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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]benzoic acid?
The IUPAC name of 4-[(2-bromophenoxy)methyl]benzoic acid (CID 585015) is 4-[(2-bromophenoxy)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]benzoic acid?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]benzoic acid is O=C(O)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]benzoic acid?
The InChIKey is RSOSIENOPSGTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c15-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H,16,17).
What are the key properties of 4-[(2-bromophenoxy)methyl]benzoic acid?
4-[(2-bromophenoxy)methyl]benzoic acid has a molecular weight of 307.14 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]benzoic acid is sourced from PubChem (CID 585015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).