2-naphthalen-2-ylpropanoic acid

C13H12O2 — CID 13147846

IUPAC2-naphthalen-2-ylpropanoic acid
SMILESCC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C13H12O2/c1-9(13(14)15)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3,(H,14,15)
InChIKeyDKVIPUUJSKIQFZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.03
Rot. Bonds2

About 2-naphthalen-2-ylpropanoic acid

2-naphthalen-2-ylpropanoic acid (PubChem CID 13147846) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-naphthalen-2-ylpropanoic acid
PubChem CID13147846
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2-naphthalen-2-ylpropanoic acid
SMILESCC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C13H12O2/c1-9(13(14)15)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3,(H,14,15)
InChIKeyDKVIPUUJSKIQFZ-UHFFFAOYSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylpropanoic acid?
The IUPAC name of 2-naphthalen-2-ylpropanoic acid (CID 13147846) is 2-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for 2-naphthalen-2-ylpropanoic acid?
The canonical SMILES for 2-naphthalen-2-ylpropanoic acid is CC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylpropanoic acid?
The InChIKey is DKVIPUUJSKIQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-9(13(14)15)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3,(H,14,15).
What are the key properties of 2-naphthalen-2-ylpropanoic acid?
2-naphthalen-2-ylpropanoic acid has a molecular weight of 200.24 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 13147846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).