[2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate

C12H14O3 — CID 876160

IUPAC[2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate
SMILESC/C=C/c1ccc(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/b5-4+
InChIKeyIUSBVFZKQJGVEP-SNAWJCMRSA-N
MW206.24 g/mol
LogP2.65
Rot. Bonds3

About [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate (PubChem CID 876160) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate
PubChem CID876160
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate
SMILESC/C=C/c1ccc(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/b5-4+
InChIKeyIUSBVFZKQJGVEP-SNAWJCMRSA-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-[(E)-prop-1-enyl]phenyl] acetate?
The IUPAC name of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate (CID 876160) is [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate.
What is the SMILES notation for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate?
The canonical SMILES for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate is C/C=C/c1ccc(OC(C)=O)c(OC)c1.
What is the InChIKey of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate?
The InChIKey is IUSBVFZKQJGVEP-SNAWJCMRSA-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/b5-4+.
What are the key properties of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate?
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 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-[(E)-prop-1-enyl]phenyl] acetate is sourced from PubChem (CID 876160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).