2-[(4-hydroxyphenyl)methylidene]butanedioic acid

C11H10O5 — CID 139765873

IUPAC2-[(4-hydroxyphenyl)methylidene]butanedioic acid
SMILESO=C(O)CC(=Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H10O5/c12-9-3-1-7(2-4-9)5-8(11(15)16)6-10(13)14/h1-5,12H,6H2,(H,13,14)(H,15,16)
InChIKeyOGZGNPBSWCNEGU-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.33
Rot. Bonds4

About 2-[(4-hydroxyphenyl)methylidene]butanedioic acid

2-[(4-hydroxyphenyl)methylidene]butanedioic acid (PubChem CID 139765873) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methylidene]butanedioic acid.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methylidene]butanedioic acid
PubChem CID139765873
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name2-[(4-hydroxyphenyl)methylidene]butanedioic acid
SMILESO=C(O)CC(=Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H10O5/c12-9-3-1-7(2-4-9)5-8(11(15)16)6-10(13)14/h1-5,12H,6H2,(H,13,14)(H,15,16)
InChIKeyOGZGNPBSWCNEGU-UHFFFAOYSA-N
XLogP1.33
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.33
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

(2E)-2-(pyridin-4-ylmethylidene)butanedioic acid
CID 82158378
4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid
CID 130229418
2-[(4-hydroxyphenyl)methylidene]propanedioic acid
CID 519420
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
(2Z)-4-methoxy-2-[(4-methylphenyl)methylidene]-4-oxobutanoic acid
CID 12735065
(2E)-2-[[3-(dimethylamino)phenyl]methylidene]butanedioic acid
CID 82581363
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177600
(2E)-2-[(4-chlorophenyl)methylidene]pentanedioic acid
CID 82159773
magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 173177679
N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177567
(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-4-methoxy-4-oxobutanoic acid
CID 57390741
2-(bromomethyl)-3-phenylprop-2-enoic acid
CID 4155481

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methylidene]butanedioic acid?
The IUPAC name of 2-[(4-hydroxyphenyl)methylidene]butanedioic acid (CID 139765873) is 2-[(4-hydroxyphenyl)methylidene]butanedioic acid.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methylidene]butanedioic acid?
The canonical SMILES for 2-[(4-hydroxyphenyl)methylidene]butanedioic acid is O=C(O)CC(=Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-[(4-hydroxyphenyl)methylidene]butanedioic acid?
The InChIKey is OGZGNPBSWCNEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c12-9-3-1-7(2-4-9)5-8(11(15)16)6-10(13)14/h1-5,12H,6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-hydroxyphenyl)methylidene]butanedioic acid?
2-[(4-hydroxyphenyl)methylidene]butanedioic acid has a molecular weight of 222.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methylidene]butanedioic acid is sourced from PubChem (CID 139765873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).