2-phenylacetic acid

C8H8O2 — CID 999

💊View drug profile → phenylacetic acid
IUPAC2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKeyWLJVXDMOQOGPHL-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.31
Rot. Bonds2

About 2-phenylacetic acid

2-phenylacetic acid (PubChem CID 999) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-phenylacetic acid.

Molecular Properties

Compound Name2-phenylacetic acid
PubChem CID999
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name2-phenylacetic acid
SMILESO=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKeyWLJVXDMOQOGPHL-UHFFFAOYSA-N
XLogP1.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Esflurbiprofen
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Allyl phenylacetate
CID 15717

Frequently Asked Questions

What is the IUPAC name of 2-phenylacetic acid?
The IUPAC name of 2-phenylacetic acid (CID 999) is 2-phenylacetic acid.
What is the SMILES notation for 2-phenylacetic acid?
The canonical SMILES for 2-phenylacetic acid is O=C(O)Cc1ccccc1.
What is the InChIKey of 2-phenylacetic acid?
The InChIKey is WLJVXDMOQOGPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10).
What are the key properties of 2-phenylacetic acid?
2-phenylacetic acid has a molecular weight of 136.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylacetic acid is sourced from PubChem (CID 999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).