3-(4-methoxyphenyl)benzoic acid

C14H12O3 — CID 1307667

IUPAC3-(4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C14H12O3/c1-17-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16/h2-9H,1H3,(H,15,16)
InChIKeyVWDMBLJBLIUXFS-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.06
Rot. Bonds3

About 3-(4-methoxyphenyl)benzoic acid

3-(4-methoxyphenyl)benzoic acid (PubChem CID 1307667) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)benzoic acid
PubChem CID1307667
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name3-(4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C14H12O3/c1-17-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16/h2-9H,1H3,(H,15,16)
InChIKeyVWDMBLJBLIUXFS-UHFFFAOYSA-N
XLogP3.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)benzoic acid?
The IUPAC name of 3-(4-methoxyphenyl)benzoic acid (CID 1307667) is 3-(4-methoxyphenyl)benzoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)benzoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)benzoic acid is COc1ccc(-c2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)benzoic acid?
The InChIKey is VWDMBLJBLIUXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-17-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16/h2-9H,1H3,(H,15,16).
What are the key properties of 3-(4-methoxyphenyl)benzoic acid?
3-(4-methoxyphenyl)benzoic acid has a molecular weight of 228.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)benzoic acid is sourced from PubChem (CID 1307667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).