[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate

C13H16O3 — CID 46865359

IUPAC[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate
SMILESC/C=C\c1ccc(OCC)c(OC(C)=O)c1
InChIInChI=1S/C13H16O3/c1-4-6-11-7-8-12(15-5-2)13(9-11)16-10(3)14/h4,6-9H,5H2,1-3H3/b6-4-
InChIKeyWQZSZORWNYFNRD-XQRVVYSFSA-N
MW220.27 g/mol
LogP3.04
Rot. Bonds4

About [2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate

[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate (PubChem CID 46865359) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is [2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate.

Molecular Properties

Compound Name[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate
PubChem CID46865359
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate
SMILESC/C=C\c1ccc(OCC)c(OC(C)=O)c1
InChIInChI=1S/C13H16O3/c1-4-6-11-7-8-12(15-5-2)13(9-11)16-10(3)14/h4,6-9H,5H2,1-3H3/b6-4-
InChIKeyWQZSZORWNYFNRD-XQRVVYSFSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(acetyloxyiminomethyl)-2-ethoxyphenyl] acetate
CID 86004136
1-ethoxy-2-fluoro-4-prop-1-enylbenzene
CID 58719170
(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 18284889
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
2-[4-[(E)-but-2-en-2-yl]phenoxy]-1-ethoxy-4-[(E)-prop-1-enyl]benzene
CID 134533412
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
(2S)-2-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 11372975
3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603198
(4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732918

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate?
The IUPAC name of [2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate (CID 46865359) is [2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate.
What is the SMILES notation for [2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate?
The canonical SMILES for [2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate is C/C=C\c1ccc(OCC)c(OC(C)=O)c1.
What is the InChIKey of [2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate?
The InChIKey is WQZSZORWNYFNRD-XQRVVYSFSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-6-11-7-8-12(15-5-2)13(9-11)16-10(3)14/h4,6-9H,5H2,1-3H3/b6-4-.
What are the key properties of [2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate?
[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate has a molecular weight of 220.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate is sourced from PubChem (CID 46865359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).