methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate

C14H16O3 — CID 11770323

IUPACmethyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate
SMILESC=CCOC(C(=C)C(=O)OC)c1ccccc1
InChIInChI=1S/C14H16O3/c1-4-10-17-13(11(2)14(15)16-3)12-8-6-5-7-9-12/h4-9,13H,1-2,10H2,3H3
InChIKeyRMJFIAHULKWTJX-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.66
Rot. Bonds6

About methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate

methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate (PubChem CID 11770323) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate
PubChem CID11770323
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namemethyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate
SMILESC=CCOC(C(=C)C(=O)OC)c1ccccc1
InChIInChI=1S/C14H16O3/c1-4-10-17-13(11(2)14(15)16-3)12-8-6-5-7-9-12/h4-9,13H,1-2,10H2,3H3
InChIKeyRMJFIAHULKWTJX-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-phenyl-2-prop-2-enoxyacetate
CID 5324854
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate
CID 15642603
(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene
CID 15361416
methyl 2-[(S)-acetyloxy(phenyl)methyl]prop-2-enoate
CID 51550449
2-phenyl-2-prop-2-enoxyacetate
CID 131736719
methyl 2-benzhydrylprop-2-enoate
CID 67016942
(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
CID 10912011
methyl 4-hydroxy-2-methylidene-3-phenylbutanoate
CID 10632091
methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate
CID 11323789
methyl 2-[bromo(phenyl)methyl]prop-2-enoate
CID 15812396
methyl 2-[methoxycarbonylsulfamoyloxy(phenyl)methyl]prop-2-enoate
CID 102356889

Frequently Asked Questions

What is the IUPAC name of methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate (CID 11770323) is methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate is C=CCOC(C(=C)C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate?
The InChIKey is RMJFIAHULKWTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-4-10-17-13(11(2)14(15)16-3)12-8-6-5-7-9-12/h4-9,13H,1-2,10H2,3H3.
What are the key properties of methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate?
methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate is sourced from PubChem (CID 11770323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).