(2-methoxy-4-prop-1-enylphenyl) acetate

C12H14O3 — CID 7137

IUPAC(2-methoxy-4-prop-1-enylphenyl) acetate
SMILESCC=Cc1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3
InChIKeyIUSBVFZKQJGVEP-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.65
Rot. Bonds3

About (2-methoxy-4-prop-1-enylphenyl) acetate

(2-methoxy-4-prop-1-enylphenyl) acetate (PubChem CID 7137) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2-methoxy-4-prop-1-enylphenyl) acetate.

Molecular Properties

Compound Name(2-methoxy-4-prop-1-enylphenyl) acetate
PubChem CID7137
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2-methoxy-4-prop-1-enylphenyl) acetate
SMILESCC=Cc1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3
InChIKeyIUSBVFZKQJGVEP-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-prop-1-enylphenyl) acetate?
The IUPAC name of (2-methoxy-4-prop-1-enylphenyl) acetate (CID 7137) is (2-methoxy-4-prop-1-enylphenyl) acetate.
What is the SMILES notation for (2-methoxy-4-prop-1-enylphenyl) acetate?
The canonical SMILES for (2-methoxy-4-prop-1-enylphenyl) acetate is CC=Cc1ccc(OC(C)=O)c(OC)c1.
What is the InChIKey of (2-methoxy-4-prop-1-enylphenyl) acetate?
The InChIKey is IUSBVFZKQJGVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3.
What are the key properties of (2-methoxy-4-prop-1-enylphenyl) acetate?
(2-methoxy-4-prop-1-enylphenyl) acetate has a molecular weight of 206.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-prop-1-enylphenyl) acetate is sourced from PubChem (CID 7137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).