4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid

C11H12O4 — CID 130229418

IUPAC4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid
SMILESO=C(O)C(=Cc1ccc(O)cc1)CCO
InChIInChI=1S/C11H12O4/c12-6-5-9(11(14)15)7-8-1-3-10(13)4-2-8/h1-4,7,12-13H,5-6H2,(H,14,15)
InChIKeyRWKAWUCJBAIAMS-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.24
Rot. Bonds4

About 4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid

4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid (PubChem CID 130229418) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid
PubChem CID130229418
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid
SMILESO=C(O)C(=Cc1ccc(O)cc1)CCO
InChIInChI=1S/C11H12O4/c12-6-5-9(11(14)15)7-8-1-3-10(13)4-2-8/h1-4,7,12-13H,5-6H2,(H,14,15)
InChIKeyRWKAWUCJBAIAMS-UHFFFAOYSA-N
XLogP1.24
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxyphenyl)methylidene]butanedioic acid
CID 139765873
2-[(4-hydroxyphenyl)methylidene]propanedioic acid
CID 519420
(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-hydroxybutanoic acid
CID 6448189
(2E)-2-[(4-chlorophenyl)methylidene]pentanedioic acid
CID 82159773
2-[(4-chlorophenyl)methylidene]pentanoic acid
CID 3248442
(2Z)-2-benzylidene-4-phenylbutanoic acid
CID 131987108
(2E)-2-benzylidenehexanoic acid
CID 5354388
(2E)-2-benzylidene-5-oxohexanoic acid
CID 134845903
(2E)-2-[(4-propan-2-ylphenyl)methylidene]pentanedioic acid
CID 94770615
(2E)-2-benzylideneheptanoic acid
CID 14318164
magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 173177679
2-benzylidene-4-methoxybutanoic acid
CID 150039493

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid (CID 130229418) is 4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid is O=C(O)C(=Cc1ccc(O)cc1)CCO.
What is the InChIKey of 4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid?
The InChIKey is RWKAWUCJBAIAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-6-5-9(11(14)15)7-8-1-3-10(13)4-2-8/h1-4,7,12-13H,5-6H2,(H,14,15).
What are the key properties of 4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid?
4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid has a molecular weight of 208.21 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid is sourced from PubChem (CID 130229418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).