2-naphthalen-1-ylacetic acid

C12H10O2 — CID 6862

IUPAC2-naphthalen-1-ylacetic acid
SMILESO=C(O)Cc1cccc2ccccc12
InChIInChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
InChIKeyPRPINYUDVPFIRX-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.47
Rot. Bonds2

About 2-naphthalen-1-ylacetic acid

2-naphthalen-1-ylacetic acid (PubChem CID 6862) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-naphthalen-1-ylacetic acid.

Molecular Properties

Compound Name2-naphthalen-1-ylacetic acid
PubChem CID6862
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name2-naphthalen-1-ylacetic acid
SMILESO=C(O)Cc1cccc2ccccc12
InChIInChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
InChIKeyPRPINYUDVPFIRX-UHFFFAOYSA-N
XLogP2.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-naphthalen-1-ylacetic 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 2-naphthalen-1-ylacetic acid?
The IUPAC name of 2-naphthalen-1-ylacetic acid (CID 6862) is 2-naphthalen-1-ylacetic acid.
What is the SMILES notation for 2-naphthalen-1-ylacetic acid?
The canonical SMILES for 2-naphthalen-1-ylacetic acid is O=C(O)Cc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylacetic acid?
The InChIKey is PRPINYUDVPFIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14).
What are the key properties of 2-naphthalen-1-ylacetic acid?
2-naphthalen-1-ylacetic acid has a molecular weight of 186.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylacetic acid is sourced from PubChem (CID 6862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).