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

C18H15ClO2 — CID 127040918

IUPAC(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
SMILESCOc1ccc(C(=O)/C=C/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClO2/c1-21-17-12-8-15(9-13-17)18(20)5-3-2-4-14-6-10-16(19)11-7-14/h2-13H,1H3/b4-2+,5-3+
InChIKeyRVKSYROVXJPOGG-ZUVMSYQZSA-N
MW298.77 g/mol
LogP4.80
Rot. Bonds5

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

(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one (PubChem CID 127040918) has the molecular formula C18H15ClO2 and a molecular weight of 298.77 g/mol. Its IUPAC name is (2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
PubChem CID127040918
Molecular FormulaC18H15ClO2
Molecular Weight298.77 g/mol
Exact Mass298.08
IUPAC Name(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
SMILESCOc1ccc(C(=O)/C=C/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15ClO2/c1-21-17-12-8-15(9-13-17)18(20)5-3-2-4-14-6-10-16(19)11-7-14/h2-13H,1H3/b4-2+,5-3+
InChIKeyRVKSYROVXJPOGG-ZUVMSYQZSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.80
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-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
(E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one
CID 27014118
(2Z,4E)-5-(4-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)penta-2,4-dien-1-one
CID 155927198
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 139234412
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6267532
[4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 2,6-dimethoxybenzoate
CID 4659684
3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one (CID 127040918) is (2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one is COc1ccc(C(=O)/C=C/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one?
The InChIKey is RVKSYROVXJPOGG-ZUVMSYQZSA-N. The full InChI is InChI=1S/C18H15ClO2/c1-21-17-12-8-15(9-13-17)18(20)5-3-2-4-14-6-10-16(19)11-7-14/h2-13H,1H3/b4-2+,5-3+.
What are the key properties of (2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one?
(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one has a molecular weight of 298.77 g/mol, XLogP of 4.80, 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-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one is sourced from PubChem (CID 127040918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).