(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one

C11H10O2 — CID 12748773

IUPAC(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
SMILESO=C(/C=C\O)/C=C/c1ccccc1
InChIInChI=1S/C11H10O2/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-9,12H/b7-6+,9-8-
InChIKeyHUANFSPCZZGBNK-MUIOLIGRSA-N
MW174.20 g/mol
LogP2.34
Rot. Bonds3

About (1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one

(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one (PubChem CID 12748773) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is (1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
PubChem CID12748773
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
SMILESO=C(/C=C\O)/C=C/c1ccccc1
InChIInChI=1S/C11H10O2/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-9,12H/b7-6+,9-8-
InChIKeyHUANFSPCZZGBNK-MUIOLIGRSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149
cesium;carbonic acid;tris(1,5-diphenylpenta-1,4-dien-3-one);hydride;bis(palladium)
CID 174910906
chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
CID 102565376
chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium
CID 24983555
(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane
CID 87515115

Frequently Asked Questions

What is the IUPAC name of (1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one?
The IUPAC name of (1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one (CID 12748773) is (1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one.
What is the SMILES notation for (1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one?
The canonical SMILES for (1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one is O=C(/C=C\O)/C=C/c1ccccc1.
What is the InChIKey of (1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one?
The InChIKey is HUANFSPCZZGBNK-MUIOLIGRSA-N. The full InChI is InChI=1S/C11H10O2/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-9,12H/b7-6+,9-8-.
What are the key properties of (1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one?
(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one has a molecular weight of 174.20 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one is sourced from PubChem (CID 12748773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).