ethenoxymethylbenzene;ethenyl acetate

C13H16O3 — CID 70503458

IUPACethenoxymethylbenzene;ethenyl acetate
SMILESC=COC(C)=O.C=COCc1ccccc1
InChIInChI=1S/C9H10O.C4H6O2/c1-2-10-8-9-6-4-3-5-7-9;1-3-6-4(2)5/h2-7H,1,8H2;3H,1H2,2H3
InChIKeyJMHMDDWOMUVHQI-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.04
Rot. Bonds4

About ethenoxymethylbenzene;ethenyl acetate

ethenoxymethylbenzene;ethenyl acetate (PubChem CID 70503458) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethenoxymethylbenzene;ethenyl acetate.

Molecular Properties

Compound Nameethenoxymethylbenzene;ethenyl acetate
PubChem CID70503458
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Nameethenoxymethylbenzene;ethenyl acetate
SMILESC=COC(C)=O.C=COCc1ccccc1
InChIInChI=1S/C9H10O.C4H6O2/c1-2-10-8-9-6-4-3-5-7-9;1-3-6-4(2)5/h2-7H,1,8H2;3H,1H2,2H3
InChIKeyJMHMDDWOMUVHQI-UHFFFAOYSA-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': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;ethenoxymethylbenzene
CID 144676673
ethenoxymethylbenzene
CID 11116115
ethenyl acetate;2-phenylacetic acid
CID 158502406
buta-1,3-diene;ethenyl acetate;prop-2-enylbenzene
CID 175320174
chloroethene;ethenyl acetate;phenol
CID 162207546
1-chloroethenylbenzene;ethenyl acetate
CID 174886349
[4-(ethenoxymethyl)phenyl]methyl benzoate
CID 139924856
ethenyl acetate;1-phenylethanol
CID 170349745
methoxymethylbenzene;methyl acetate
CID 54330728
ethenyl acetate
CID 7904
(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
benzyl acetate
CID 8785

Frequently Asked Questions

What is the IUPAC name of ethenoxymethylbenzene;ethenyl acetate?
The IUPAC name of ethenoxymethylbenzene;ethenyl acetate (CID 70503458) is ethenoxymethylbenzene;ethenyl acetate.
What is the SMILES notation for ethenoxymethylbenzene;ethenyl acetate?
The canonical SMILES for ethenoxymethylbenzene;ethenyl acetate is C=COC(C)=O.C=COCc1ccccc1.
What is the InChIKey of ethenoxymethylbenzene;ethenyl acetate?
The InChIKey is JMHMDDWOMUVHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C4H6O2/c1-2-10-8-9-6-4-3-5-7-9;1-3-6-4(2)5/h2-7H,1,8H2;3H,1H2,2H3.
What are the key properties of ethenoxymethylbenzene;ethenyl acetate?
ethenoxymethylbenzene;ethenyl 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 ethenoxymethylbenzene;ethenyl acetate is sourced from PubChem (CID 70503458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).