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

C18H16O2 — CID 134940944

IUPACmethyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate
SMILESCOC(=O)/C=C(\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O2/c1-20-18(19)14-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-14H,1H3/b13-12+,17-14+
InChIKeyQQHCFKVNOARACH-MIFVOYFBSA-N
MW264.32 g/mol
LogP3.96
Rot. Bonds4

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

methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate (PubChem CID 134940944) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate
PubChem CID134940944
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Namemethyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate
SMILESCOC(=O)/C=C(\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O2/c1-20-18(19)14-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-14H,1H3/b13-12+,17-14+
InChIKeyQQHCFKVNOARACH-MIFVOYFBSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.96
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

dimethyl (2E,4E)-3-phenylhexa-2,4-dienedioate
CID 132558709
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
(4E,6Z)-1,5,7-triphenylhepta-4,6-diene-1,3-dione
CID 98547990
methyl 4-oxo-6-phenylhexa-2,5-dienoate
CID 57362438
3-methylbut-2-enoic acid;methyl 3-phenylprop-2-enoate
CID 70180890
methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
CID 101482031
dimethyl benzene-1,2-dicarboxylate;methyl (E)-3-phenylprop-2-enoate
CID 19966781
methyl (E)-3-phenylbut-2-enoate
CID 5354835
dimethyl (E)-2-[(2E,4Z)-3-methyl-5-phenylpenta-2,4-dien-2-yl]but-2-enedioate
CID 100934564
methyl 3-(3-cyanophenyl)-5-(4-nitrophenyl)penta-2,4-dienoate
CID 54059907
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate (CID 134940944) is methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate is COC(=O)/C=C(\C=C\c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate?
The InChIKey is QQHCFKVNOARACH-MIFVOYFBSA-N. The full InChI is InChI=1S/C18H16O2/c1-20-18(19)14-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-14H,1H3/b13-12+,17-14+.
What are the key properties of methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate?
methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate has a molecular weight of 264.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate is sourced from PubChem (CID 134940944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).