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

C19H18O — CID 6034054

IUPAC(1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one
SMILESCc1ccc(/C=C/C(=O)/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18O/c1-15-3-7-17(8-4-15)11-13-19(20)14-12-18-9-5-16(2)6-10-18/h3-14H,1-2H3/b13-11+,14-12+
InChIKeyGPAAWNJDOIZWQD-PHEQNACWSA-N
MW262.35 g/mol
LogP4.60
Rot. Bonds4

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

(1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one (PubChem CID 6034054) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one
PubChem CID6034054
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name(1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one
SMILESCc1ccc(/C=C/C(=O)/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C19H18O/c1-15-3-7-17(8-4-15)11-13-19(20)14-12-18-9-5-16(2)6-10-18/h3-14H,1-2H3/b13-11+,14-12+
InChIKeyGPAAWNJDOIZWQD-PHEQNACWSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylphenyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one (CID 6034054) is (1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one is Cc1ccc(/C=C/C(=O)/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of (1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one?
The InChIKey is GPAAWNJDOIZWQD-PHEQNACWSA-N. The full InChI is InChI=1S/C19H18O/c1-15-3-7-17(8-4-15)11-13-19(20)14-12-18-9-5-16(2)6-10-18/h3-14H,1-2H3/b13-11+,14-12+.
What are the key properties of (1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one has a molecular weight of 262.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(4-methylphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 6034054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).