3-(2-hydroxyphenyl)propanoate

C9H9O3- — CID 6930705

IUPAC3-(2-hydroxyphenyl)propanoate
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)/p-1
InChIKeyCJBDUOMQLFKVQC-UHFFFAOYSA-M
MW165.17 g/mol
LogP0.07
Rot. Bonds3

About 3-(2-hydroxyphenyl)propanoate

3-(2-hydroxyphenyl)propanoate (PubChem CID 6930705) has the molecular formula C9H9O3- and a molecular weight of 165.17 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)propanoate
PubChem CID6930705
Molecular FormulaC9H9O3-
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name3-(2-hydroxyphenyl)propanoate
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)/p-1
InChIKeyCJBDUOMQLFKVQC-UHFFFAOYSA-M
XLogP0.07
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)propanoate?
The IUPAC name of 3-(2-hydroxyphenyl)propanoate (CID 6930705) is 3-(2-hydroxyphenyl)propanoate.
What is the SMILES notation for 3-(2-hydroxyphenyl)propanoate?
The canonical SMILES for 3-(2-hydroxyphenyl)propanoate is O=C([O-])CCc1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)propanoate?
The InChIKey is CJBDUOMQLFKVQC-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3-(2-hydroxyphenyl)propanoate?
3-(2-hydroxyphenyl)propanoate has a molecular weight of 165.17 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)propanoate is sourced from PubChem (CID 6930705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).