methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate

C19H16O2 — CID 102496059

IUPACmethyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate
SMILESC=C(C(=O)OC)C(=C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H16O2/c1-15(19(20)21-2)18(17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-13H,1H2,2H3
InChIKeyDRDNLNRXAQIXDW-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.11
Rot. Bonds4

About methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate

methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate (PubChem CID 102496059) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate.

Molecular Properties

Compound Namemethyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate
PubChem CID102496059
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Namemethyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate
SMILESC=C(C(=O)OC)C(=C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H16O2/c1-15(19(20)21-2)18(17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-13H,1H2,2H3
InChIKeyDRDNLNRXAQIXDW-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.11
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

methyl 2-ethyl-4-phenylbuta-2,3-dienoate
CID 132532448
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
methyl 2-methylidene-4-phenylbut-3-enoate;methyl 2-methylprop-2-enoate
CID 87484967
benzene;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 159846921
[(Z)-3-methoxy-3-oxo-1-phenylprop-1-en-2-yl] benzoate
CID 134873004
methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363
methyl 2-phenylpenta-2,4-dienoate
CID 73023142
methyl (Z)-2-benzoyl-3-methoxyprop-2-enoate
CID 59834383
1,2-bis(ethenyl)benzene;methyl 2-methylprop-2-enoate;prop-2-enenitrile;styrene
CID 6454412
methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
CID 5376942
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
methyl 3-hydroxy-2-methylidene-5-phenylpent-4-enoate
CID 71340290

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate?
The IUPAC name of methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate (CID 102496059) is methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate.
What is the SMILES notation for methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate?
The canonical SMILES for methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate is C=C(C(=O)OC)C(=C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate?
The InChIKey is DRDNLNRXAQIXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-15(19(20)21-2)18(17-11-7-4-8-12-17)14-13-16-9-5-3-6-10-16/h3-13H,1H2,2H3.
What are the key properties of methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate?
methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate has a molecular weight of 276.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate is sourced from PubChem (CID 102496059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).