(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one

C18H16O2 — CID 10539553

IUPAC(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
SMILESCOc1ccc(/C=C/C=C/C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H16O2/c1-20-17-13-11-15(12-14-17)7-5-6-10-18(19)16-8-3-2-4-9-16/h2-14H,1H3/b7-5+,10-6+
InChIKeyZTUOCOPSRQMDMO-YLNKAEQOSA-N
MW264.32 g/mol
LogP4.15
Rot. Bonds5

About (2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one

(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one (PubChem CID 10539553) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
PubChem CID10539553
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
SMILESCOc1ccc(/C=C/C=C/C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H16O2/c1-20-17-13-11-15(12-14-17)7-5-6-10-18(19)16-8-3-2-4-9-16/h2-14H,1H3/b7-5+,10-6+
InChIKeyZTUOCOPSRQMDMO-YLNKAEQOSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 71384226
(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 127040918
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
(2E,4E)-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 134140486
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 127042887
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
(2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one
CID 155927198
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 92526505
(2Z,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 54612350
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one (CID 10539553) is (2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one is COc1ccc(/C=C/C=C/C(=O)c2ccccc2)cc1.
What is the InChIKey of (2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one?
The InChIKey is ZTUOCOPSRQMDMO-YLNKAEQOSA-N. The full InChI is InChI=1S/C18H16O2/c1-20-17-13-11-15(12-14-17)7-5-6-10-18(19)16-8-3-2-4-9-16/h2-14H,1H3/b7-5+,10-6+.
What are the key properties of (2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one?
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one has a molecular weight of 264.32 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 10539553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).