methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate

C24H20O2 — CID 101482031

IUPACmethyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
SMILESCOC(=O)/C=C(C(=C/c1ccccc1)/c1ccccc1)\c1ccccc1
InChIInChI=1S/C24H20O2/c1-26-24(25)18-23(21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)17-19-11-5-2-6-12-19/h2-18H,1H3/b22-17+,23-18+
InChIKeyHJTNEBWPXJJWRT-SKWBHROBSA-N
MW340.42 g/mol
LogP5.48
Rot. Bonds5

About methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate

methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate (PubChem CID 101482031) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
PubChem CID101482031
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Namemethyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
SMILESCOC(=O)/C=C(C(=C/c1ccccc1)/c1ccccc1)\c1ccccc1
InChIInChI=1S/C24H20O2/c1-26-24(25)18-23(21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)17-19-11-5-2-6-12-19/h2-18H,1H3/b22-17+,23-18+
InChIKeyHJTNEBWPXJJWRT-SKWBHROBSA-N
XLogP5.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.48
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

methyl (E)-3-phenylbut-2-enoate
CID 5354835
methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate
CID 134940944
(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
methyl 3-diphenylsilyloxybut-2-enoate
CID 71423824
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate
CID 102534464
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
4-methyl-1,2-diphenylpent-1-en-3-one
CID 54502058
1,4-diphenylbenzene;[(1E,3E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene
CID 22765483
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate (CID 101482031) is methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate is COC(=O)/C=C(C(=C/c1ccccc1)/c1ccccc1)\c1ccccc1.
What is the InChIKey of methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate?
The InChIKey is HJTNEBWPXJJWRT-SKWBHROBSA-N. The full InChI is InChI=1S/C24H20O2/c1-26-24(25)18-23(21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)17-19-11-5-2-6-12-19/h2-18H,1H3/b22-17+,23-18+.
What are the key properties of methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate?
methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate has a molecular weight of 340.42 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate is sourced from PubChem (CID 101482031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).