3-(4-Hydroxyphenyl)propionic acid

C9H10O3 — CID 10394

IUPAC3-(4-hydroxyphenyl)propanoic acid
SMILESC1=CC(=CC=C1CCC(=O)O)O
InChIInChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKeyNMHMNPHRMNGLLB-UHFFFAOYSA-N
MW166.17 g/mol
LogP1.20
Rot. Bonds3

About 3-(4-Hydroxyphenyl)propionic acid

3-(4-Hydroxyphenyl)propionic acid (PubChem CID 10394) has the molecular formula C9H10O3 and a molecular weight of 166.17 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-Hydroxyphenyl)propionic acid
PubChem CID10394
Molecular FormulaC9H10O3
Molecular Weight166.17 g/mol
Exact Mass166.06
IUPAC Name3-(4-hydroxyphenyl)propanoic acid
SMILESC1=CC(=CC=C1CCC(=O)O)O
InChIInChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKeyNMHMNPHRMNGLLB-UHFFFAOYSA-N
XLogP1.20
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity148

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
L-Tyrosine
CID 6057
Hydroxyphenylacetic acid
CID 127
Tyrosol
CID 10393
(2-Hydroxyphenyl)acetic acid
CID 11970
4-Nonylphenol
CID 1752
P-Coumaric Acid
CID 637542
Bis(4-hydroxyphenyl)methane
CID 12111
Dopac
CID 547
4'-Hydroxyacetophenone
CID 7469
O-Coumaric Acid
CID 637540
4-Ethylphenol
CID 31242

Frequently Asked Questions

What is the IUPAC name of 3-(4-Hydroxyphenyl)propionic acid?
The IUPAC name of 3-(4-Hydroxyphenyl)propionic acid (CID 10394) is 3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-Hydroxyphenyl)propionic acid?
The canonical SMILES for 3-(4-Hydroxyphenyl)propionic acid is C1=CC(=CC=C1CCC(=O)O)O.
What is the InChIKey of 3-(4-Hydroxyphenyl)propionic acid?
The InChIKey is NMHMNPHRMNGLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12).
What are the key properties of 3-(4-Hydroxyphenyl)propionic acid?
3-(4-Hydroxyphenyl)propionic acid has a molecular weight of 166.17 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-Hydroxyphenyl)propionic acid is sourced from PubChem (CID 10394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).