(4-ethenylphenyl)methyl acetate

C11H12O2 — CID 2735161

IUPAC(4-ethenylphenyl)methyl acetate
SMILESC=Cc1ccc(COC(C)=O)cc1
InChIInChI=1S/C11H12O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h3-7H,1,8H2,2H3
InChIKeyLEIKPUSDAWATBV-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.39
Rot. Bonds3

About (4-ethenylphenyl)methyl acetate

(4-ethenylphenyl)methyl acetate (PubChem CID 2735161) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl acetate.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl acetate
PubChem CID2735161
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(4-ethenylphenyl)methyl acetate
SMILESC=Cc1ccc(COC(C)=O)cc1
InChIInChI=1S/C11H12O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h3-7H,1,8H2,2H3
InChIKeyLEIKPUSDAWATBV-UHFFFAOYSA-N
XLogP2.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl acetate?
The IUPAC name of (4-ethenylphenyl)methyl acetate (CID 2735161) is (4-ethenylphenyl)methyl acetate.
What is the SMILES notation for (4-ethenylphenyl)methyl acetate?
The canonical SMILES for (4-ethenylphenyl)methyl acetate is C=Cc1ccc(COC(C)=O)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl acetate?
The InChIKey is LEIKPUSDAWATBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h3-7H,1,8H2,2H3.
What are the key properties of (4-ethenylphenyl)methyl acetate?
(4-ethenylphenyl)methyl acetate has a molecular weight of 176.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl acetate is sourced from PubChem (CID 2735161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).