2-[(3-bromophenyl)methoxy]benzoic acid

C14H11BrO3 — CID 3302765

IUPAC2-[(3-bromophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C14H11BrO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyXXEHDADBNHDAIB-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.73
Rot. Bonds4

About 2-[(3-bromophenyl)methoxy]benzoic acid

2-[(3-bromophenyl)methoxy]benzoic acid (PubChem CID 3302765) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]benzoic acid
PubChem CID3302765
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name2-[(3-bromophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C14H11BrO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKeyXXEHDADBNHDAIB-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 2-[(3-bromophenyl)methoxy]benzoic acid?
The IUPAC name of 2-[(3-bromophenyl)methoxy]benzoic acid (CID 3302765) is 2-[(3-bromophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]benzoic acid is O=C(O)c1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]benzoic acid?
The InChIKey is XXEHDADBNHDAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8H,9H2,(H,16,17).
What are the key properties of 2-[(3-bromophenyl)methoxy]benzoic acid?
2-[(3-bromophenyl)methoxy]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 2-[(3-bromophenyl)methoxy]benzoic acid is sourced from PubChem (CID 3302765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).