3-phenylprop-2-enyl acetate

C11H12O2 — CID 7660

IUPAC3-phenylprop-2-enyl acetate
SMILESCC(=O)OCC=Cc1ccccc1
InChIInChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3
InChIKeyWJSDHUCWMSHDCR-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.26
Rot. Bonds3

About 3-phenylprop-2-enyl acetate

3-phenylprop-2-enyl acetate (PubChem CID 7660) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3-phenylprop-2-enyl acetate.

Molecular Properties

Compound Name3-phenylprop-2-enyl acetate
PubChem CID7660
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name3-phenylprop-2-enyl acetate
SMILESCC(=O)OCC=Cc1ccccc1
InChIInChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3
InChIKeyWJSDHUCWMSHDCR-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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Related Compounds

Benzyl acetate
CID 8785
(+)-Kavain
CID 5281565
Cinnamyl Acetate
CID 5282110
Methyl Cinnamate
CID 637520
2-Phenylethyl Acetate
CID 7654
Ethyl Cinnamate
CID 637758
Benzyl butyrate
CID 7650
Cinnamyl isobutyrate
CID 5355851
Desmethoxyyangonin
CID 5273621
Linalyl cinnamate
CID 5355858
Benzyl propionate
CID 31219
3-Phenylpropyl acetate
CID 31226

Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enyl acetate?
The IUPAC name of 3-phenylprop-2-enyl acetate (CID 7660) is 3-phenylprop-2-enyl acetate.
What is the SMILES notation for 3-phenylprop-2-enyl acetate?
The canonical SMILES for 3-phenylprop-2-enyl acetate is CC(=O)OCC=Cc1ccccc1.
What is the InChIKey of 3-phenylprop-2-enyl acetate?
The InChIKey is WJSDHUCWMSHDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3.
What are the key properties of 3-phenylprop-2-enyl acetate?
3-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 3-phenylprop-2-enyl acetate is sourced from PubChem (CID 7660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).