5-bromo-2-phenylmethoxybenzoic acid

C14H11BrO3 — CID 2461357

IUPAC5-bromo-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C14H11BrO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyVIQAXGLEBKDMGC-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.73
Rot. Bonds4

About 5-bromo-2-phenylmethoxybenzoic acid

5-bromo-2-phenylmethoxybenzoic acid (PubChem CID 2461357) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is 5-bromo-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name5-bromo-2-phenylmethoxybenzoic acid
PubChem CID2461357
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name5-bromo-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C14H11BrO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyVIQAXGLEBKDMGC-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylmethoxybenzoic acid?
The IUPAC name of 5-bromo-2-phenylmethoxybenzoic acid (CID 2461357) is 5-bromo-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 5-bromo-2-phenylmethoxybenzoic acid?
The canonical SMILES for 5-bromo-2-phenylmethoxybenzoic acid is O=C(O)c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 5-bromo-2-phenylmethoxybenzoic acid?
The InChIKey is VIQAXGLEBKDMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of 5-bromo-2-phenylmethoxybenzoic acid?
5-bromo-2-phenylmethoxybenzoic 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 5-bromo-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 2461357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).