2,3-dihydroxy-4-phenylbut-3-enoic acid

C10H10O4 — CID 70396355

IUPAC2,3-dihydroxy-4-phenylbut-3-enoic acid
SMILESO=C(O)C(O)C(O)=Cc1ccccc1
InChIInChI=1S/C10H10O4/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-6,9,11-12H,(H,13,14)
InChIKeyBRIPVZQKGXEGSX-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.03
Rot. Bonds3

About 2,3-dihydroxy-4-phenylbut-3-enoic acid

2,3-dihydroxy-4-phenylbut-3-enoic acid (PubChem CID 70396355) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2,3-dihydroxy-4-phenylbut-3-enoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-4-phenylbut-3-enoic acid
PubChem CID70396355
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2,3-dihydroxy-4-phenylbut-3-enoic acid
SMILESO=C(O)C(O)C(O)=Cc1ccccc1
InChIInChI=1S/C10H10O4/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-6,9,11-12H,(H,13,14)
InChIKeyBRIPVZQKGXEGSX-UHFFFAOYSA-N
XLogP1.03
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2,4-dihydroxy-5-phenylpent-4-enoic acid
CID 70422301
(3S,4S,5S,6S)-1,8-diphenylocta-1,7-diene-2,3,4,5,6,7-hexol
CID 68940500
(Z)-4-phenylbut-3-ene-1,2,3-triol
CID 5463840
benzaldehyde;2,3-dihydroxybutanedioic acid
CID 159567937
germane;2-hydroxy-3-phenylprop-2-enoic acid
CID 174439173
2-hydroxy-3-phenylprop-2-enoic acid;methane
CID 66953163
[(E)-2-fluoro-2-iodoethenyl]benzene
CID 11492511
(3S)-3-(dimethylamino)-1-phenylbut-1-en-2-ol
CID 155453900
(Z)-3-phenyl-2-sulfanylprop-2-enoic acid
CID 5396334
2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
CID 66616036
2-amino-3-phenylprop-2-enamide
CID 70617640
2-benzylidene-3-ethylbutanedioic acid
CID 54436000

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-phenylbut-3-enoic acid?
The IUPAC name of 2,3-dihydroxy-4-phenylbut-3-enoic acid (CID 70396355) is 2,3-dihydroxy-4-phenylbut-3-enoic acid.
What is the SMILES notation for 2,3-dihydroxy-4-phenylbut-3-enoic acid?
The canonical SMILES for 2,3-dihydroxy-4-phenylbut-3-enoic acid is O=C(O)C(O)C(O)=Cc1ccccc1.
What is the InChIKey of 2,3-dihydroxy-4-phenylbut-3-enoic acid?
The InChIKey is BRIPVZQKGXEGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-6,9,11-12H,(H,13,14).
What are the key properties of 2,3-dihydroxy-4-phenylbut-3-enoic acid?
2,3-dihydroxy-4-phenylbut-3-enoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-phenylbut-3-enoic acid is sourced from PubChem (CID 70396355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).