2-naphthalen-2-ylacetic acid

C12H10O2 — CID 11393

IUPAC2-naphthalen-2-ylacetic acid
SMILESO=C(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)
InChIKeyVIBOGIYPPWLDTI-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.47
Rot. Bonds2

About 2-naphthalen-2-ylacetic acid

2-naphthalen-2-ylacetic acid (PubChem CID 11393) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-naphthalen-2-ylacetic acid.

Molecular Properties

Compound Name2-naphthalen-2-ylacetic acid
PubChem CID11393
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name2-naphthalen-2-ylacetic acid
SMILESO=C(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)
InChIKeyVIBOGIYPPWLDTI-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

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylacetic acid?
The IUPAC name of 2-naphthalen-2-ylacetic acid (CID 11393) is 2-naphthalen-2-ylacetic acid.
What is the SMILES notation for 2-naphthalen-2-ylacetic acid?
The canonical SMILES for 2-naphthalen-2-ylacetic acid is O=C(O)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylacetic acid?
The InChIKey is VIBOGIYPPWLDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14).
What are the key properties of 2-naphthalen-2-ylacetic acid?
2-naphthalen-2-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-2-ylacetic acid is sourced from PubChem (CID 11393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).