3-(2-hydroxyphenyl)propanoic acid

C9H10O3 — CID 873

IUPAC3-(2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1ccccc1O
InChIInChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKeyCJBDUOMQLFKVQC-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.41
Rot. Bonds3

About 3-(2-hydroxyphenyl)propanoic acid

3-(2-hydroxyphenyl)propanoic acid (PubChem CID 873) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)propanoic acid
PubChem CID873
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name3-(2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CCc1ccccc1O
InChIInChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKeyCJBDUOMQLFKVQC-UHFFFAOYSA-N
XLogP1.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(2-hydroxyphenyl)propanoic acid (CID 873) is 3-(2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-hydroxyphenyl)propanoic acid is O=C(O)CCc1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)propanoic acid?
The InChIKey is CJBDUOMQLFKVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12).
What are the key properties of 3-(2-hydroxyphenyl)propanoic acid?
3-(2-hydroxyphenyl)propanoic acid has a molecular weight of 166.18 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).