(2-ethenylphenyl) 2-methylprop-2-enoate

C12H12O2 — CID 19607397

IUPAC(2-ethenylphenyl) 2-methylprop-2-enoate
SMILESC=Cc1ccccc1OC(=O)C(=C)C
InChIInChI=1S/C12H12O2/c1-4-10-7-5-6-8-11(10)14-12(13)9(2)3/h4-8H,1-2H2,3H3
InChIKeyXIGCIRFXDCDODH-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.81
Rot. Bonds3

About (2-ethenylphenyl) 2-methylprop-2-enoate

(2-ethenylphenyl) 2-methylprop-2-enoate (PubChem CID 19607397) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2-ethenylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-ethenylphenyl) 2-methylprop-2-enoate
PubChem CID19607397
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(2-ethenylphenyl) 2-methylprop-2-enoate
SMILESC=Cc1ccccc1OC(=O)C(=C)C
InChIInChI=1S/C12H12O2/c1-4-10-7-5-6-8-11(10)14-12(13)9(2)3/h4-8H,1-2H2,3H3
InChIKeyXIGCIRFXDCDODH-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;(2-ethenylphenyl) acetate
CID 175577038
(2-ethenylphenyl) 2-cyanoprop-2-enoate
CID 141117758
1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate
CID 174879691
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
1,2-bis(ethenyl)benzene;2-methylprop-2-enamide
CID 70531006
CID 159564409
CID 159564409
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
(4-acetyloxy-3-ethenylphenyl) 2-methylprop-2-enoate
CID 118696254
calcium;1,2-bis(ethenyl)benzene;bis(2-methylprop-2-enoate)
CID 161431336
(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
CID 100943837
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814

Frequently Asked Questions

What is the IUPAC name of (2-ethenylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (2-ethenylphenyl) 2-methylprop-2-enoate (CID 19607397) is (2-ethenylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-ethenylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-ethenylphenyl) 2-methylprop-2-enoate is C=Cc1ccccc1OC(=O)C(=C)C.
What is the InChIKey of (2-ethenylphenyl) 2-methylprop-2-enoate?
The InChIKey is XIGCIRFXDCDODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-4-10-7-5-6-8-11(10)14-12(13)9(2)3/h4-8H,1-2H2,3H3.
What are the key properties of (2-ethenylphenyl) 2-methylprop-2-enoate?
(2-ethenylphenyl) 2-methylprop-2-enoate has a molecular weight of 188.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 19607397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).