3-(2-methoxyphenyl)prop-2-enyl acetate

C12H14O3 — CID 54098832

IUPAC3-(2-methoxyphenyl)prop-2-enyl acetate
SMILESCOc1ccccc1C=CCOC(C)=O
InChIInChI=1S/C12H14O3/c1-10(13)15-9-5-7-11-6-3-4-8-12(11)14-2/h3-8H,9H2,1-2H3
InChIKeyMZCITWGLXKYOGE-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.27
Rot. Bonds4

About 3-(2-methoxyphenyl)prop-2-enyl acetate

3-(2-methoxyphenyl)prop-2-enyl acetate (PubChem CID 54098832) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)prop-2-enyl acetate.

Molecular Properties

Compound Name3-(2-methoxyphenyl)prop-2-enyl acetate
PubChem CID54098832
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-(2-methoxyphenyl)prop-2-enyl acetate
SMILESCOc1ccccc1C=CCOC(C)=O
InChIInChI=1S/C12H14O3/c1-10(13)15-9-5-7-11-6-3-4-8-12(11)14-2/h3-8H,9H2,1-2H3
InChIKeyMZCITWGLXKYOGE-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)prop-2-enyl acetate?
The IUPAC name of 3-(2-methoxyphenyl)prop-2-enyl acetate (CID 54098832) is 3-(2-methoxyphenyl)prop-2-enyl acetate.
What is the SMILES notation for 3-(2-methoxyphenyl)prop-2-enyl acetate?
The canonical SMILES for 3-(2-methoxyphenyl)prop-2-enyl acetate is COc1ccccc1C=CCOC(C)=O.
What is the InChIKey of 3-(2-methoxyphenyl)prop-2-enyl acetate?
The InChIKey is MZCITWGLXKYOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-10(13)15-9-5-7-11-6-3-4-8-12(11)14-2/h3-8H,9H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)prop-2-enyl acetate?
3-(2-methoxyphenyl)prop-2-enyl acetate has a molecular weight of 206.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)prop-2-enyl acetate is sourced from PubChem (CID 54098832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).