[4-(ethenoxymethyl)phenyl]methyl formate

C11H12O3 — CID 139924907

IUPAC[4-(ethenoxymethyl)phenyl]methyl formate
SMILESC=COCc1ccc(COC=O)cc1
InChIInChI=1S/C11H12O3/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12/h2-6,9H,1,7-8H2
InChIKeyNOVWJGKCOIVZOK-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.02
Rot. Bonds6

About [4-(ethenoxymethyl)phenyl]methyl formate

[4-(ethenoxymethyl)phenyl]methyl formate (PubChem CID 139924907) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is [4-(ethenoxymethyl)phenyl]methyl formate.

Molecular Properties

Compound Name[4-(ethenoxymethyl)phenyl]methyl formate
PubChem CID139924907
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name[4-(ethenoxymethyl)phenyl]methyl formate
SMILESC=COCc1ccc(COC=O)cc1
InChIInChI=1S/C11H12O3/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12/h2-6,9H,1,7-8H2
InChIKeyNOVWJGKCOIVZOK-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4-phosphanylphenyl)methyl formate
CID 91097019
ethenoxymethylbenzene
CID 11116115
sodium;hydride;(4-hydroxyphenyl)methyl formate
CID 173269022
[4-(formyloxymethyl)phenyl]methyl formate;[4-(hydroxymethyl)phenyl]methanol;molecular hydrogen
CID 158556157
ethane;ethenoxymethylbenzene
CID 144676673
2-[[4-(ethenoxymethyl)phenyl]methoxy]-2-oxoacetic acid
CID 139924862
(4-cyanophenyl)methyl formate
CID 18398424
[4-(ethenoxymethyl)phenyl]methyl benzoate
CID 139924856
[4-(trifluoromethylsulfanyl)phenyl]methyl formate
CID 87851581
[4-(1-fluorocyclopropyl)phenyl]methyl formate
CID 171720322
(3,4-difluorophenyl)methyl formate
CID 87852383
[4-[(3Z,5Z)-3-aminohepta-1,3,5-trien-4-yl]phenyl]methyl formate
CID 171795281

Frequently Asked Questions

What is the IUPAC name of [4-(ethenoxymethyl)phenyl]methyl formate?
The IUPAC name of [4-(ethenoxymethyl)phenyl]methyl formate (CID 139924907) is [4-(ethenoxymethyl)phenyl]methyl formate.
What is the SMILES notation for [4-(ethenoxymethyl)phenyl]methyl formate?
The canonical SMILES for [4-(ethenoxymethyl)phenyl]methyl formate is C=COCc1ccc(COC=O)cc1.
What is the InChIKey of [4-(ethenoxymethyl)phenyl]methyl formate?
The InChIKey is NOVWJGKCOIVZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12/h2-6,9H,1,7-8H2.
What are the key properties of [4-(ethenoxymethyl)phenyl]methyl formate?
[4-(ethenoxymethyl)phenyl]methyl formate has a molecular weight of 192.21 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethenoxymethyl)phenyl]methyl formate is sourced from PubChem (CID 139924907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).