methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate

C19H18O3 — CID 54355919

IUPACmethyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate
SMILESCOC(=O)C=CC=C(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H18O3/c1-21-17-13-11-16(12-14-17)18(9-6-10-19(20)22-2)15-7-4-3-5-8-15/h3-14H,1-2H3
InChIKeyUJBWSYUILXFCOI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.86
Rot. Bonds5

About methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate

methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate (PubChem CID 54355919) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate
PubChem CID54355919
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Namemethyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate
SMILESCOC(=O)C=CC=C(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H18O3/c1-21-17-13-11-16(12-14-17)18(9-6-10-19(20)22-2)15-7-4-3-5-8-15/h3-14H,1-2H3
InChIKeyUJBWSYUILXFCOI-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl (2Z)-5,5-diphenylpenta-2,4-dienoate
CID 92534378
methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate
CID 14347267
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 88605067
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
(4-nitrophenyl) (2E,4Z)-5-(4-methoxyphenyl)-5-pyridin-3-ylpenta-2,4-dienoate
CID 14347452
(2E,4E)-5-phenyl-5-[4-(trifluoromethoxy)phenyl]penta-2,4-dienoic acid
CID 87598874
methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate
CID 73427465
(2E,4E)-5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 14347285
methyl (Z)-4-bromo-3-(4-methoxyphenyl)but-2-enoate
CID 131873738
5-(4-methoxyphenyl)hexa-2,4-dienoic acid
CID 54069539

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate?
The IUPAC name of methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate (CID 54355919) is methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate.
What is the SMILES notation for methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate?
The canonical SMILES for methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate is COC(=O)C=CC=C(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate?
The InChIKey is UJBWSYUILXFCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-21-17-13-11-16(12-14-17)18(9-6-10-19(20)22-2)15-7-4-3-5-8-15/h3-14H,1-2H3.
What are the key properties of methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate?
methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate has a molecular weight of 294.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate is sourced from PubChem (CID 54355919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).