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

C12H14O3 — CID 7136

IUPAC(2-methoxy-4-prop-2-enylphenyl) acetate
SMILESC=CCc1ccc(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/h4,6-8H,1,5H2,2-3H3
InChIKeySCCDQYPEOIRVGX-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.35
Rot. Bonds4

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

(2-methoxy-4-prop-2-enylphenyl) acetate (PubChem CID 7136) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2-methoxy-4-prop-2-enylphenyl) acetate.

Molecular Properties

Compound Name(2-methoxy-4-prop-2-enylphenyl) acetate
PubChem CID7136
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2-methoxy-4-prop-2-enylphenyl) acetate
SMILESC=CCc1ccc(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/h4,6-8H,1,5H2,2-3H3
InChIKeySCCDQYPEOIRVGX-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Eugenol
CID 3314
Ferulic Acid
CID 445858
Methyleugenol
CID 7127
4-Propylguaiacol
CID 17739
4-Methylphenyl acetate
CID 8797
Isoferulic Acid
CID 736186
Eugenyl benzoate
CID 62362
4-Ethylguaiacol
CID 62465
Methylisoeugenol
CID 637776
Methyl Ferulate
CID 5357283
1'-Acetoxychavicol Acetate
CID 119104
Isoeugenyl methyl ether
CID 1549045

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-prop-2-enylphenyl) acetate?
The IUPAC name of (2-methoxy-4-prop-2-enylphenyl) acetate (CID 7136) is (2-methoxy-4-prop-2-enylphenyl) acetate.
What is the SMILES notation for (2-methoxy-4-prop-2-enylphenyl) acetate?
The canonical SMILES for (2-methoxy-4-prop-2-enylphenyl) acetate is C=CCc1ccc(OC(C)=O)c(OC)c1.
What is the InChIKey of (2-methoxy-4-prop-2-enylphenyl) acetate?
The InChIKey is SCCDQYPEOIRVGX-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/h4,6-8H,1,5H2,2-3H3.
What are the key properties of (2-methoxy-4-prop-2-enylphenyl) acetate?
(2-methoxy-4-prop-2-enylphenyl) acetate has a molecular weight of 206.24 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-prop-2-enylphenyl) acetate is sourced from PubChem (CID 7136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).