methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate

C24H19FO2 — CID 166439926

IUPACmethyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate
SMILESCOC(=O)/C(=C/C(=C\c1ccccc1)c1ccccc1)c1ccccc1F
InChIInChI=1S/C24H19FO2/c1-27-24(26)22(21-14-8-9-15-23(21)25)17-20(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-17H,1H3/b20-16+,22-17+
InChIKeyWXOATQMXJQSAPW-DWBJUFKYSA-N
MW358.41 g/mol
LogP5.62
Rot. Bonds5

About methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate

methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate (PubChem CID 166439926) has the molecular formula C24H19FO2 and a molecular weight of 358.41 g/mol. Its IUPAC name is methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate
PubChem CID166439926
Molecular FormulaC24H19FO2
Molecular Weight358.41 g/mol
Exact Mass358.14
IUPAC Namemethyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate
SMILESCOC(=O)/C(=C/C(=C\c1ccccc1)c1ccccc1)c1ccccc1F
InChIInChI=1S/C24H19FO2/c1-27-24(26)22(21-14-8-9-15-23(21)25)17-20(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-17H,1H3/b20-16+,22-17+
InChIKeyWXOATQMXJQSAPW-DWBJUFKYSA-N
XLogP5.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 55.62
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one
CID 102350773
methyl (E)-3-fluoro-2-phenylprop-2-enoate
CID 10607451
(3E,5Z)-3-methoxycarbonyl-6-(4-methoxyphenyl)-5-phenylhexa-3,5-dienoic acid
CID 15352566
(3Z,5E)-3-methoxycarbonyl-6-(4-methoxyphenyl)-5-phenylhexa-3,5-dienoic acid
CID 10689320
trifluoro-[(Z)-2-methoxycarbonyl-3-phenylprop-2-enyl]boranuide
CID 102173037
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
2-benzylidene-3-methoxycarbonyl-4-phenylbut-3-enoic acid
CID 4736767
methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
CID 101482031
[(Z)-3-methoxy-3-oxo-1-phenylprop-1-en-2-yl] benzoate
CID 134873004
dimethyl 2-benzylidenebutanedioate
CID 4688794
methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
CID 5376942
methyl (E)-3-(3-chlorophenyl)-2-phenylprop-2-enoate
CID 25192532

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate (CID 166439926) is methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate is COC(=O)/C(=C/C(=C\c1ccccc1)c1ccccc1)c1ccccc1F.
What is the InChIKey of methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate?
The InChIKey is WXOATQMXJQSAPW-DWBJUFKYSA-N. The full InChI is InChI=1S/C24H19FO2/c1-27-24(26)22(21-14-8-9-15-23(21)25)17-20(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-17H,1H3/b20-16+,22-17+.
What are the key properties of methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate?
methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate has a molecular weight of 358.41 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate is sourced from PubChem (CID 166439926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).