2-phenylprop-2-enyl acetate

C11H12O2 — CID 2753089

IUPAC2-phenylprop-2-enyl acetate
SMILESC=C(COC(C)=O)c1ccccc1
InChIInChI=1S/C11H12O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7H,1,8H2,2H3
InChIKeyFXTGIMSXGTUMAN-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.26
Rot. Bonds3

About 2-phenylprop-2-enyl acetate

2-phenylprop-2-enyl acetate (PubChem CID 2753089) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-phenylprop-2-enyl acetate.

Molecular Properties

Compound Name2-phenylprop-2-enyl acetate
PubChem CID2753089
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name2-phenylprop-2-enyl acetate
SMILESC=C(COC(C)=O)c1ccccc1
InChIInChI=1S/C11H12O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7H,1,8H2,2H3
InChIKeyFXTGIMSXGTUMAN-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylprop-2-enyl acetate?
The IUPAC name of 2-phenylprop-2-enyl acetate (CID 2753089) is 2-phenylprop-2-enyl acetate.
What is the SMILES notation for 2-phenylprop-2-enyl acetate?
The canonical SMILES for 2-phenylprop-2-enyl acetate is C=C(COC(C)=O)c1ccccc1.
What is the InChIKey of 2-phenylprop-2-enyl acetate?
The InChIKey is FXTGIMSXGTUMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7H,1,8H2,2H3.
What are the key properties of 2-phenylprop-2-enyl acetate?
2-phenylprop-2-enyl acetate has a molecular weight of 176.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylprop-2-enyl acetate is sourced from PubChem (CID 2753089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).