2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid

C12H10O5 — CID 135448116

IUPAC2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid
SMILESO=C(O)C(O)=CC=CC(=O)c1ccccc1O
InChIInChI=1S/C12H10O5/c13-9-5-2-1-4-8(9)10(14)6-3-7-11(15)12(16)17/h1-7,13,15H,(H,16,17)
InChIKeyMWGXDZHCLRMDFE-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.66
Rot. Bonds4

About 2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid

2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid (PubChem CID 135448116) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid.

Molecular Properties

Compound Name2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid
PubChem CID135448116
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid
SMILESO=C(O)C(O)=CC=CC(=O)c1ccccc1O
InChIInChI=1S/C12H10O5/c13-9-5-2-1-4-8(9)10(14)6-3-7-11(15)12(16)17/h1-7,13,15H,(H,16,17)
InChIKeyMWGXDZHCLRMDFE-UHFFFAOYSA-N
XLogP1.66
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-6-(2,3-dihydroxyphenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
CID 136630885
2-[(2E,4Z)-5-carboxy-5-hydroxypenta-2,4-dienoyl]-6-hydroxyphenolate
CID 136630884
1-(2-hydroxyphenyl)-3-methoxyprop-2-en-1-one
CID 175205354
4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5272792
1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25861
1-(2-hydroxyphenyl)-3-nitroprop-2-en-1-one
CID 175207110
1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one
CID 15261544
3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 11043762
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid?
The IUPAC name of 2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid (CID 135448116) is 2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid.
What is the SMILES notation for 2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid?
The canonical SMILES for 2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid is O=C(O)C(O)=CC=CC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid?
The InChIKey is MWGXDZHCLRMDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c13-9-5-2-1-4-8(9)10(14)6-3-7-11(15)12(16)17/h1-7,13,15H,(H,16,17).
What are the key properties of 2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid?
2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid has a molecular weight of 234.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid is sourced from PubChem (CID 135448116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).