(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid

C11H8O5 — CID 102322322

IUPAC(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid
SMILESO=C(O)C(=O)C(=O)/C=C/c1ccccc1O
InChIInChI=1S/C11H8O5/c12-8-4-2-1-3-7(8)5-6-9(13)10(14)11(15)16/h1-6,12H,(H,15,16)/b6-5+
InChIKeyKZUQMIGPEQQIBS-AATRIKPKSA-N
MW220.18 g/mol
LogP0.63
Rot. Bonds4

About (E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid

(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid (PubChem CID 102322322) has the molecular formula C11H8O5 and a molecular weight of 220.18 g/mol. Its IUPAC name is (E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid.

Molecular Properties

Compound Name(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid
PubChem CID102322322
Molecular FormulaC11H8O5
Molecular Weight220.18 g/mol
Exact Mass220.04
IUPAC Name(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid
SMILESO=C(O)C(=O)C(=O)/C=C/c1ccccc1O
InChIInChI=1S/C11H8O5/c12-8-4-2-1-3-7(8)5-6-9(13)10(14)11(15)16/h1-6,12H,(H,15,16)/b6-5+
InChIKeyKZUQMIGPEQQIBS-AATRIKPKSA-N
XLogP0.63
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one
CID 154111061
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 15150197
3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298
(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 164898916
(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5387158
2,4-dihydroxy-5-[(Z)-3-(2-hydroxyphenyl)prop-2-enoyl]benzoic acid
CID 96892114
6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
CID 91017486
2-[(Z)-3-carboxy-3-oxoprop-1-enyl]benzoate
CID 20843222
3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid
CID 70138823

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid?
The IUPAC name of (E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid (CID 102322322) is (E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid.
What is the SMILES notation for (E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid?
The canonical SMILES for (E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid is O=C(O)C(=O)C(=O)/C=C/c1ccccc1O.
What is the InChIKey of (E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid?
The InChIKey is KZUQMIGPEQQIBS-AATRIKPKSA-N. The full InChI is InChI=1S/C11H8O5/c12-8-4-2-1-3-7(8)5-6-9(13)10(14)11(15)16/h1-6,12H,(H,15,16)/b6-5+.
What are the key properties of (E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid?
(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid has a molecular weight of 220.18 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid is sourced from PubChem (CID 102322322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).