4-(4-bromophenyl)benzoic acid

C13H9BrO2 — CID 2818388

IUPAC4-(4-bromophenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H9BrO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
InChIKeyUTHDVFIFIMWTJQ-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.81
Rot. Bonds2

About 4-(4-bromophenyl)benzoic acid

4-(4-bromophenyl)benzoic acid (PubChem CID 2818388) has the molecular formula C13H9BrO2 and a molecular weight of 277.12 g/mol. Its IUPAC name is 4-(4-bromophenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-bromophenyl)benzoic acid
PubChem CID2818388
Molecular FormulaC13H9BrO2
Molecular Weight277.12 g/mol
Exact Mass275.98
IUPAC Name4-(4-bromophenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H9BrO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
InChIKeyUTHDVFIFIMWTJQ-UHFFFAOYSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)benzoic acid?
The IUPAC name of 4-(4-bromophenyl)benzoic acid (CID 2818388) is 4-(4-bromophenyl)benzoic acid.
What is the SMILES notation for 4-(4-bromophenyl)benzoic acid?
The canonical SMILES for 4-(4-bromophenyl)benzoic acid is O=C(O)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)benzoic acid?
The InChIKey is UTHDVFIFIMWTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16).
What are the key properties of 4-(4-bromophenyl)benzoic acid?
4-(4-bromophenyl)benzoic acid has a molecular weight of 277.12 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)benzoic acid is sourced from PubChem (CID 2818388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).