3-naphthalen-2-ylbenzoic acid

C17H12O2 — CID 2760150

IUPAC3-naphthalen-2-ylbenzoic acid
SMILESO=C(O)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C17H12O2/c18-17(19)16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,18,19)
InChIKeyQOPDOKREBSOVNG-UHFFFAOYSA-N
MW248.28 g/mol
LogP4.20
Rot. Bonds2

About 3-naphthalen-2-ylbenzoic acid

3-naphthalen-2-ylbenzoic acid (PubChem CID 2760150) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-naphthalen-2-ylbenzoic acid.

Molecular Properties

Compound Name3-naphthalen-2-ylbenzoic acid
PubChem CID2760150
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name3-naphthalen-2-ylbenzoic acid
SMILESO=C(O)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C17H12O2/c18-17(19)16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,18,19)
InChIKeyQOPDOKREBSOVNG-UHFFFAOYSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-naphthalen-2-ylbenzoic 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 3-naphthalen-2-ylbenzoic acid?
The IUPAC name of 3-naphthalen-2-ylbenzoic acid (CID 2760150) is 3-naphthalen-2-ylbenzoic acid.
What is the SMILES notation for 3-naphthalen-2-ylbenzoic acid?
The canonical SMILES for 3-naphthalen-2-ylbenzoic acid is O=C(O)c1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-naphthalen-2-ylbenzoic acid?
The InChIKey is QOPDOKREBSOVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c18-17(19)16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,18,19).
What are the key properties of 3-naphthalen-2-ylbenzoic acid?
3-naphthalen-2-ylbenzoic acid has a molecular weight of 248.28 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylbenzoic acid is sourced from PubChem (CID 2760150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).