(2-propanoyl-6-prop-1-enylphenyl) acetate

C14H16O3 — CID 70447044

IUPAC(2-propanoyl-6-prop-1-enylphenyl) acetate
SMILESCC=Cc1cccc(C(=O)CC)c1OC(C)=O
InChIInChI=1S/C14H16O3/c1-4-7-11-8-6-9-12(13(16)5-2)14(11)17-10(3)15/h4,6-9H,5H2,1-3H3
InChIKeyUNKUJQHSYIODBL-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.24
Rot. Bonds4

About (2-propanoyl-6-prop-1-enylphenyl) acetate

(2-propanoyl-6-prop-1-enylphenyl) acetate (PubChem CID 70447044) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2-propanoyl-6-prop-1-enylphenyl) acetate.

Molecular Properties

Compound Name(2-propanoyl-6-prop-1-enylphenyl) acetate
PubChem CID70447044
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(2-propanoyl-6-prop-1-enylphenyl) acetate
SMILESCC=Cc1cccc(C(=O)CC)c1OC(C)=O
InChIInChI=1S/C14H16O3/c1-4-7-11-8-6-9-12(13(16)5-2)14(11)17-10(3)15/h4,6-9H,5H2,1-3H3
InChIKeyUNKUJQHSYIODBL-UHFFFAOYSA-N
XLogP3.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-propanoyl-6-prop-1-enylphenyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-propanoyl-6-prop-1-enylphenyl) acetate?
The IUPAC name of (2-propanoyl-6-prop-1-enylphenyl) acetate (CID 70447044) is (2-propanoyl-6-prop-1-enylphenyl) acetate.
What is the SMILES notation for (2-propanoyl-6-prop-1-enylphenyl) acetate?
The canonical SMILES for (2-propanoyl-6-prop-1-enylphenyl) acetate is CC=Cc1cccc(C(=O)CC)c1OC(C)=O.
What is the InChIKey of (2-propanoyl-6-prop-1-enylphenyl) acetate?
The InChIKey is UNKUJQHSYIODBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-4-7-11-8-6-9-12(13(16)5-2)14(11)17-10(3)15/h4,6-9H,5H2,1-3H3.
What are the key properties of (2-propanoyl-6-prop-1-enylphenyl) acetate?
(2-propanoyl-6-prop-1-enylphenyl) acetate has a molecular weight of 232.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propanoyl-6-prop-1-enylphenyl) acetate is sourced from PubChem (CID 70447044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).