3-chloro-5-naphthalen-2-ylbenzoic acid

C17H11ClO2 — CID 53226810

IUPAC3-chloro-5-naphthalen-2-ylbenzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C17H11ClO2/c18-16-9-14(8-15(10-16)17(19)20)13-6-5-11-3-1-2-4-12(11)7-13/h1-10H,(H,19,20)
InChIKeyPYMMQVNEEFMDNP-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.86
Rot. Bonds2

About 3-chloro-5-naphthalen-2-ylbenzoic acid

3-chloro-5-naphthalen-2-ylbenzoic acid (PubChem CID 53226810) has the molecular formula C17H11ClO2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-chloro-5-naphthalen-2-ylbenzoic acid.

Molecular Properties

Compound Name3-chloro-5-naphthalen-2-ylbenzoic acid
PubChem CID53226810
Molecular FormulaC17H11ClO2
Molecular Weight282.73 g/mol
Exact Mass282.04
IUPAC Name3-chloro-5-naphthalen-2-ylbenzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C17H11ClO2/c18-16-9-14(8-15(10-16)17(19)20)13-6-5-11-3-1-2-4-12(11)7-13/h1-10H,(H,19,20)
InChIKeyPYMMQVNEEFMDNP-UHFFFAOYSA-N
XLogP4.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-5-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-chloro-5-naphthalen-2-ylbenzoic acid?
The IUPAC name of 3-chloro-5-naphthalen-2-ylbenzoic acid (CID 53226810) is 3-chloro-5-naphthalen-2-ylbenzoic acid.
What is the SMILES notation for 3-chloro-5-naphthalen-2-ylbenzoic acid?
The canonical SMILES for 3-chloro-5-naphthalen-2-ylbenzoic acid is O=C(O)c1cc(Cl)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-chloro-5-naphthalen-2-ylbenzoic acid?
The InChIKey is PYMMQVNEEFMDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO2/c18-16-9-14(8-15(10-16)17(19)20)13-6-5-11-3-1-2-4-12(11)7-13/h1-10H,(H,19,20).
What are the key properties of 3-chloro-5-naphthalen-2-ylbenzoic acid?
3-chloro-5-naphthalen-2-ylbenzoic acid has a molecular weight of 282.73 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-naphthalen-2-ylbenzoic acid is sourced from PubChem (CID 53226810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).