(2E)-1-phenylpenta-2,4-dien-1-one

C11H10O — CID 11019140

IUPAC(2E)-1-phenylpenta-2,4-dien-1-one
SMILESC=C/C=C/C(=O)c1ccccc1
InChIInChI=1S/C11H10O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2-9H,1H2/b9-3+
InChIKeyVQMPPKIHOBTQQK-YCRREMRBSA-N
MW158.20 g/mol
LogP2.61
Rot. Bonds3

About (2E)-1-phenylpenta-2,4-dien-1-one

(2E)-1-phenylpenta-2,4-dien-1-one (PubChem CID 11019140) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is (2E)-1-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E)-1-phenylpenta-2,4-dien-1-one
PubChem CID11019140
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name(2E)-1-phenylpenta-2,4-dien-1-one
SMILESC=C/C=C/C(=O)c1ccccc1
InChIInChI=1S/C11H10O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2-9H,1H2/b9-3+
InChIKeyVQMPPKIHOBTQQK-YCRREMRBSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-phenyldeca-2,7,9-trien-1-one
CID 71347729
1-phenylhexa-2,4-dien-1-one
CID 57351073
N-hexa-1,3,5-trien-2-ylbenzamide
CID 123631469
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
(2E)-1-phenylhepta-2,6-dien-1-one
CID 12950359
(2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one
CID 145193587
methanamine;1-phenylprop-2-en-1-one
CID 91395058
N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
CID 102308068
(2E,4E)-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 134140486
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410

Frequently Asked Questions

What is the IUPAC name of (2E)-1-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E)-1-phenylpenta-2,4-dien-1-one (CID 11019140) is (2E)-1-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E)-1-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E)-1-phenylpenta-2,4-dien-1-one is C=C/C=C/C(=O)c1ccccc1.
What is the InChIKey of (2E)-1-phenylpenta-2,4-dien-1-one?
The InChIKey is VQMPPKIHOBTQQK-YCRREMRBSA-N. The full InChI is InChI=1S/C11H10O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2-9H,1H2/b9-3+.
What are the key properties of (2E)-1-phenylpenta-2,4-dien-1-one?
(2E)-1-phenylpenta-2,4-dien-1-one has a molecular weight of 158.20 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 11019140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).