(2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one

C15H16O — CID 143297607

IUPAC(2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one
SMILESC/C=C\C(\C=C\C(=O)c1ccccc1)=C/C
InChIInChI=1S/C15H16O/c1-3-8-13(4-2)11-12-15(16)14-9-6-5-7-10-14/h3-12H,1-2H3/b8-3-,12-11+,13-4+
InChIKeyBEERIRCKWWBWHK-BMJLEBTISA-N
MW212.29 g/mol
LogP3.95
Rot. Bonds4

About (2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one

(2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one (PubChem CID 143297607) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one.

Molecular Properties

Compound Name(2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one
PubChem CID143297607
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one
SMILESC/C=C\C(\C=C\C(=O)c1ccccc1)=C/C
InChIInChI=1S/C15H16O/c1-3-8-13(4-2)11-12-15(16)14-9-6-5-7-10-14/h3-12H,1-2H3/b8-3-,12-11+,13-4+
InChIKeyBEERIRCKWWBWHK-BMJLEBTISA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.95
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-phenylhexa-2,4-dien-1-one
CID 57351073
ethane;phenyl (2E,4E,5Z)-4-ethylidenehepta-2,5-dienoate
CID 142315513
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(Z)-1-phenylpent-2-en-1-one
CID 91998885
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589
3-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienoyl]-4-hydroxychromen-2-one
CID 143019370
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
1-pyridin-4-ylbut-2-en-1-one
CID 86070863
[(E)-but-2-enoyl] benzoate
CID 87397529
(E)-3-benzhydrylidenehex-4-en-2-one
CID 101384989

Frequently Asked Questions

What is the IUPAC name of (2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one?
The IUPAC name of (2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one (CID 143297607) is (2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one.
What is the SMILES notation for (2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one?
The canonical SMILES for (2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one is C/C=C\C(\C=C\C(=O)c1ccccc1)=C/C.
What is the InChIKey of (2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one?
The InChIKey is BEERIRCKWWBWHK-BMJLEBTISA-N. The full InChI is InChI=1S/C15H16O/c1-3-8-13(4-2)11-12-15(16)14-9-6-5-7-10-14/h3-12H,1-2H3/b8-3-,12-11+,13-4+.
What are the key properties of (2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one?
(2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one has a molecular weight of 212.29 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one is sourced from PubChem (CID 143297607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).