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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Related Compounds

(2-formyl-5-hydroxyphenyl)methanesulfonyl chloride
CID 117341340
1,5-bis(2,5-dihydroxyphenyl)pentan-3-one
CID 141060265
3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid
CID 84697357
3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid
CID 118813803
6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
3-[4-(difluoromethoxy)-2-formylphenyl]propanoic acid
CID 118829937
3-(7-formyl-8-hydroxyquinolin-5-yl)propanoic acid
CID 87406128
ethane;4-hydroxyphthalaldehyde
CID 90973394
3-(6-hydroxyquinazolin-4-yl)propanoic acid
CID 105471952
4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde
CID 117312812
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
acetic acid;4-hydroxy-2-iodobenzaldehyde
CID 175606546

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).