(1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one

C24H18ClFO2 — CID 90666657

IUPAC(1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)/C=C/c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C24H18ClFO2/c25-21-11-5-18(6-12-21)9-15-23(27)16-10-20-3-1-2-4-24(20)28-17-19-7-13-22(26)14-8-19/h1-16H,17H2/b15-9+,16-10+
InChIKeyOUACGEOUVBNSDV-KAVGSWPWSA-N
MW392.86 g/mol
LogP6.35
Rot. Bonds7

About (1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one

(1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one (PubChem CID 90666657) has the molecular formula C24H18ClFO2 and a molecular weight of 392.86 g/mol. Its IUPAC name is (1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one
PubChem CID90666657
Molecular FormulaC24H18ClFO2
Molecular Weight392.86 g/mol
Exact Mass392.10
IUPAC Name(1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)/C=C/c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C24H18ClFO2/c25-21-11-5-18(6-12-21)9-15-23(27)16-10-20-3-1-2-4-24(20)28-17-19-7-13-22(26)14-8-19/h1-16H,17H2/b15-9+,16-10+
InChIKeyOUACGEOUVBNSDV-KAVGSWPWSA-N
XLogP6.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.86
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one with MolForge

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Related Compounds

3-[4-[(2-fluorophenoxy)methyl]phenyl]prop-2-enoic acid
CID 76908430
3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 900841
3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 53456323
(E)-3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 91684714
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
3-[2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 5116496
3-(4-chlorophenyl)-1-[2-hydroxy-4,6-bis(phenylmethoxy)phenyl]prop-2-en-1-one
CID 163323163
4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 5233908
5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135473878
(E)-3-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 115956926
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one (CID 90666657) is (1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one is O=C(/C=C/c1ccc(Cl)cc1)/C=C/c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of (1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one?
The InChIKey is OUACGEOUVBNSDV-KAVGSWPWSA-N. The full InChI is InChI=1S/C24H18ClFO2/c25-21-11-5-18(6-12-21)9-15-23(27)16-10-20-3-1-2-4-24(20)28-17-19-7-13-22(26)14-8-19/h1-16H,17H2/b15-9+,16-10+.
What are the key properties of (1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one?
(1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one has a molecular weight of 392.86 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-(4-chlorophenyl)-5-[2-[(4-fluorophenyl)methoxy]phenyl]penta-1,4-dien-3-one is sourced from PubChem (CID 90666657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).