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

C14H14O4 — CID 15642603

IUPACmethyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate
SMILESC=CC(=O)OC(C(=C)C(=O)OC)c1ccccc1
InChIInChI=1S/C14H14O4/c1-4-12(15)18-13(10(2)14(16)17-3)11-8-6-5-7-9-11/h4-9,13H,1-2H2,3H3
InChIKeyRZCHKQZSKSZFTH-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.19
Rot. Bonds5

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

methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate (PubChem CID 15642603) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate
PubChem CID15642603
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Namemethyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate
SMILESC=CC(=O)OC(C(=C)C(=O)OC)c1ccccc1
InChIInChI=1S/C14H14O4/c1-4-12(15)18-13(10(2)14(16)17-3)11-8-6-5-7-9-11/h4-9,13H,1-2H2,3H3
InChIKeyRZCHKQZSKSZFTH-UHFFFAOYSA-N
XLogP2.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(S)-acetyloxy(phenyl)methyl]prop-2-enoate
CID 51550449
methyl 2-[phenyl(prop-2-enoxy)methyl]prop-2-enoate
CID 11770323
methyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy-phenylmethyl]prop-2-enoate
CID 11323789
methyl 2-benzhydrylprop-2-enoate
CID 67016942
1-phenylethyl prop-2-enoate
CID 175321764
methyl 2-[bromo(phenyl)methyl]prop-2-enoate
CID 15812396
[methoxy(phenyl)methyl] prop-2-enoate;prop-2-enoic acid
CID 159520635
methyl 2-[methoxycarbonylsulfamoyloxy(phenyl)methyl]prop-2-enoate
CID 102356889
methyl (3S)-4,4,4-trichloro-2-methylidene-3-phenylbutanoate
CID 132597424
(2-methylidene-1-phenylbut-3-enyl) acetate
CID 10774469
methyl 4-hydroxy-2-methylidene-3-phenylbutanoate
CID 10632091
methyl (3R,4S)-4-benzoyl-2-methylidene-3-phenylhex-5-enoate
CID 71714346

Frequently Asked Questions

What is the IUPAC name of methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate (CID 15642603) is methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate is C=CC(=O)OC(C(=C)C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate?
The InChIKey is RZCHKQZSKSZFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-4-12(15)18-13(10(2)14(16)17-3)11-8-6-5-7-9-11/h4-9,13H,1-2H2,3H3.
What are the key properties of methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate?
methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate has a molecular weight of 246.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[phenyl(prop-2-enoyloxy)methyl]prop-2-enoate is sourced from PubChem (CID 15642603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).