methyl 2-(4-ethenylphenyl)prop-2-enoate

C12H12O2 — CID 175494099

IUPACmethyl 2-(4-ethenylphenyl)prop-2-enoate
SMILESC=Cc1ccc(C(=C)C(=O)OC)cc1
InChIInChI=1S/C12H12O2/c1-4-10-5-7-11(8-6-10)9(2)12(13)14-3/h4-8H,1-2H2,3H3
InChIKeyZWTXHHXUYGIIOK-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.52
Rot. Bonds3

About methyl 2-(4-ethenylphenyl)prop-2-enoate

methyl 2-(4-ethenylphenyl)prop-2-enoate (PubChem CID 175494099) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 2-(4-ethenylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(4-ethenylphenyl)prop-2-enoate
PubChem CID175494099
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Namemethyl 2-(4-ethenylphenyl)prop-2-enoate
SMILESC=Cc1ccc(C(=C)C(=O)OC)cc1
InChIInChI=1S/C12H12O2/c1-4-10-5-7-11(8-6-10)9(2)12(13)14-3/h4-8H,1-2H2,3H3
InChIKeyZWTXHHXUYGIIOK-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-isocyanatophenyl)prop-2-enoate
CID 20727525
benzene;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 159846921
1-(chloromethyl)-4-ethenylbenzene;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 160615171
(Z)-but-2-enedioic acid;methyl 2-methylprop-2-enoate;styrene
CID 70445514
dimethyl 2-methylidenebutanedioate;styrene
CID 22357357
1-(4-ethenylphenyl)butane-1,3-dione
CID 11622470
2-methoxyethyl 4-ethenylbenzoate
CID 58960727
ethoxyethane;methyl 2-phenylprop-2-enoate
CID 174753576
4-ethenylbenzoic acid;silver
CID 58108047
methyl 2-methylidene-4-oxohex-5-enoate;styrene
CID 69428971
silver 4-ethenylbenzoate
CID 86649830
1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
CID 174791645

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethenylphenyl)prop-2-enoate?
The IUPAC name of methyl 2-(4-ethenylphenyl)prop-2-enoate (CID 175494099) is methyl 2-(4-ethenylphenyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(4-ethenylphenyl)prop-2-enoate?
The canonical SMILES for methyl 2-(4-ethenylphenyl)prop-2-enoate is C=Cc1ccc(C(=C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(4-ethenylphenyl)prop-2-enoate?
The InChIKey is ZWTXHHXUYGIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-4-10-5-7-11(8-6-10)9(2)12(13)14-3/h4-8H,1-2H2,3H3.
What are the key properties of methyl 2-(4-ethenylphenyl)prop-2-enoate?
methyl 2-(4-ethenylphenyl)prop-2-enoate has a molecular weight of 188.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethenylphenyl)prop-2-enoate is sourced from PubChem (CID 175494099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).