(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

C19H18O3 — CID 715840

IUPAC(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
SMILESCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3/b9-3+,10-4+
InChIKeyIOZVKDXPBWBUKY-LQIBPGRFSA-N
MW294.35 g/mol
LogP4.00
Rot. Bonds6

About (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one (PubChem CID 715840) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
PubChem CID715840
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
SMILESCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3/b9-3+,10-4+
InChIKeyIOZVKDXPBWBUKY-LQIBPGRFSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one (CID 715840) is (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one is COc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one?
The InChIKey is IOZVKDXPBWBUKY-LQIBPGRFSA-N. The full InChI is InChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3/b9-3+,10-4+.
What are the key properties of (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one has a molecular weight of 294.35 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 715840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).