2-(4-ethenylphenyl)ethenyl acetate

C12H12O2 — CID 66777541

IUPAC2-(4-ethenylphenyl)ethenyl acetate
SMILESC=Cc1ccc(C=COC(C)=O)cc1
InChIInChI=1S/C12H12O2/c1-3-11-4-6-12(7-5-11)8-9-14-10(2)13/h3-9H,1H2,2H3
InChIKeyHYRJKOBVORWUPS-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.86
Rot. Bonds3

About 2-(4-ethenylphenyl)ethenyl acetate

2-(4-ethenylphenyl)ethenyl acetate (PubChem CID 66777541) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)ethenyl acetate.

Molecular Properties

Compound Name2-(4-ethenylphenyl)ethenyl acetate
PubChem CID66777541
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-(4-ethenylphenyl)ethenyl acetate
SMILESC=Cc1ccc(C=COC(C)=O)cc1
InChIInChI=1S/C12H12O2/c1-3-11-4-6-12(7-5-11)8-9-14-10(2)13/h3-9H,1H2,2H3
InChIKeyHYRJKOBVORWUPS-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-(4-chlorophenyl)ethenyl] acetate
CID 102224059
(4-ethenylphenyl) acetate;oxophosphane
CID 175041738
chloroethene;ethenyl acetate;styrene
CID 87524858
2-nitroethenylbenzene;2-phenylethenyl acetate
CID 157123844
but-2-enedioic acid;ethenyl acetate;styrene
CID 159833587
1,4-bis(ethenyl)benzene;urea
CID 18766675
(4-ethenylphenyl) acetate;oxirane
CID 158488844
1,4-bis(ethenyl)benzene;ethenyl propanoate
CID 174939231
(4-ethenylphenyl) 2-oxopropanoate
CID 67863949
1-ethenyl-4-[(E)-2-iodoethenyl]benzene
CID 24873640
2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
CID 138598568
(2-acetyloxy-4-ethenylphenyl) acetate
CID 11401740

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)ethenyl acetate?
The IUPAC name of 2-(4-ethenylphenyl)ethenyl acetate (CID 66777541) is 2-(4-ethenylphenyl)ethenyl acetate.
What is the SMILES notation for 2-(4-ethenylphenyl)ethenyl acetate?
The canonical SMILES for 2-(4-ethenylphenyl)ethenyl acetate is C=Cc1ccc(C=COC(C)=O)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)ethenyl acetate?
The InChIKey is HYRJKOBVORWUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-3-11-4-6-12(7-5-11)8-9-14-10(2)13/h3-9H,1H2,2H3.
What are the key properties of 2-(4-ethenylphenyl)ethenyl acetate?
2-(4-ethenylphenyl)ethenyl acetate has a molecular weight of 188.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)ethenyl acetate is sourced from PubChem (CID 66777541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).