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

C10H8O5 — CID 519420

IUPAC2-[(4-hydroxyphenyl)methylidene]propanedioic acid
SMILESO=C(O)C(=Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H8O5/c11-7-3-1-6(2-4-7)5-8(9(12)13)10(14)15/h1-5,11H,(H,12,13)(H,14,15)
InChIKeyVIZIOWSVZAXMNU-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.94
Rot. Bonds3

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

2-[(4-hydroxyphenyl)methylidene]propanedioic acid (PubChem CID 519420) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methylidene]propanedioic acid.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methylidene]propanedioic acid
PubChem CID519420
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name2-[(4-hydroxyphenyl)methylidene]propanedioic acid
SMILESO=C(O)C(=Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H8O5/c11-7-3-1-6(2-4-7)5-8(9(12)13)10(14)15/h1-5,11H,(H,12,13)(H,14,15)
InChIKeyVIZIOWSVZAXMNU-UHFFFAOYSA-N
XLogP0.94
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 173177679
2-[[4-(bromomethyl)phenyl]methylidene]propanedioic acid
CID 19425793
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
2-[(4-hydroxyphenyl)methylidene]butanedioic acid
CID 139765873
4-hydroxy-2-[(4-hydroxyphenyl)methylidene]butanoic acid
CID 130229418
2-[(4-hydroxyphenyl)methylidene]-N-methyl-3-oxobutanamide
CID 54059819
2-[(2,4-dihydroxyphenyl)methylidene]propanedioic acid
CID 45093805
bis(benzene-1,4-diol);carbonic acid
CID 68999082
(2E,3Z)-3-(1-hydroxyethylidene)-2-[(4-hydroxyphenyl)methylidene]-1-phenylpentane-1,4-dione
CID 11244167
2-carboxy-3-phenylprop-2-enoate
CID 5248661
actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 59099672
2-[(4-butoxyphenyl)methylidene]propanedioic acid
CID 21291628

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methylidene]propanedioic acid?
The IUPAC name of 2-[(4-hydroxyphenyl)methylidene]propanedioic acid (CID 519420) is 2-[(4-hydroxyphenyl)methylidene]propanedioic acid.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methylidene]propanedioic acid?
The canonical SMILES for 2-[(4-hydroxyphenyl)methylidene]propanedioic acid is O=C(O)C(=Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-[(4-hydroxyphenyl)methylidene]propanedioic acid?
The InChIKey is VIZIOWSVZAXMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c11-7-3-1-6(2-4-7)5-8(9(12)13)10(14)15/h1-5,11H,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-hydroxyphenyl)methylidene]propanedioic acid?
2-[(4-hydroxyphenyl)methylidene]propanedioic acid has a molecular weight of 208.17 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methylidene]propanedioic acid is sourced from PubChem (CID 519420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).