3-(2-formyl-5-hydroxyphenyl)propanoic acid

C10H10O4 — CID 117284284

IUPAC3-(2-formyl-5-hydroxyphenyl)propanoic acid
SMILESO=Cc1ccc(O)cc1CCC(=O)O
InChIInChI=1S/C10H10O4/c11-6-8-1-3-9(12)5-7(8)2-4-10(13)14/h1,3,5-6,12H,2,4H2,(H,13,14)
InChIKeyNXRFXXDVPBOALN-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.22
Rot. Bonds4

About 3-(2-formyl-5-hydroxyphenyl)propanoic acid

3-(2-formyl-5-hydroxyphenyl)propanoic acid (PubChem CID 117284284) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(2-formyl-5-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-formyl-5-hydroxyphenyl)propanoic acid
PubChem CID117284284
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name3-(2-formyl-5-hydroxyphenyl)propanoic acid
SMILESO=Cc1ccc(O)cc1CCC(=O)O
InChIInChI=1S/C10H10O4/c11-6-8-1-3-9(12)5-7(8)2-4-10(13)14/h1,3,5-6,12H,2,4H2,(H,13,14)
InChIKeyNXRFXXDVPBOALN-UHFFFAOYSA-N
XLogP1.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-formyl-5-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(2-formyl-5-hydroxyphenyl)propanoic acid (CID 117284284) is 3-(2-formyl-5-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-formyl-5-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-formyl-5-hydroxyphenyl)propanoic acid is O=Cc1ccc(O)cc1CCC(=O)O.
What is the InChIKey of 3-(2-formyl-5-hydroxyphenyl)propanoic acid?
The InChIKey is NXRFXXDVPBOALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-6-8-1-3-9(12)5-7(8)2-4-10(13)14/h1,3,5-6,12H,2,4H2,(H,13,14).
What are the key properties of 3-(2-formyl-5-hydroxyphenyl)propanoic acid?
3-(2-formyl-5-hydroxyphenyl)propanoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-formyl-5-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 117284284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).