[3-(hydroxymethoxy)phenyl]methyl formate

C9H10O4 — CID 57136163

IUPAC[3-(hydroxymethoxy)phenyl]methyl formate
SMILESO=COCc1cccc(OCO)c1
InChIInChI=1S/C9H10O4/c10-6-12-5-8-2-1-3-9(4-8)13-7-11/h1-4,6,11H,5,7H2
InChIKeyWNINZVPWYOESES-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.69
Rot. Bonds5

About [3-(hydroxymethoxy)phenyl]methyl formate

[3-(hydroxymethoxy)phenyl]methyl formate (PubChem CID 57136163) has the molecular formula C9H10O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is [3-(hydroxymethoxy)phenyl]methyl formate.

Molecular Properties

Compound Name[3-(hydroxymethoxy)phenyl]methyl formate
PubChem CID57136163
Molecular FormulaC9H10O4
Molecular Weight182.18 g/mol
Exact Mass182.06
IUPAC Name[3-(hydroxymethoxy)phenyl]methyl formate
SMILESO=COCc1cccc(OCO)c1
InChIInChI=1S/C9H10O4/c10-6-12-5-8-2-1-3-9(4-8)13-7-11/h1-4,6,11H,5,7H2
InChIKeyWNINZVPWYOESES-UHFFFAOYSA-N
XLogP0.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethoxy)phenyl]methyl formate?
The IUPAC name of [3-(hydroxymethoxy)phenyl]methyl formate (CID 57136163) is [3-(hydroxymethoxy)phenyl]methyl formate.
What is the SMILES notation for [3-(hydroxymethoxy)phenyl]methyl formate?
The canonical SMILES for [3-(hydroxymethoxy)phenyl]methyl formate is O=COCc1cccc(OCO)c1.
What is the InChIKey of [3-(hydroxymethoxy)phenyl]methyl formate?
The InChIKey is WNINZVPWYOESES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-6-12-5-8-2-1-3-9(4-8)13-7-11/h1-4,6,11H,5,7H2.
What are the key properties of [3-(hydroxymethoxy)phenyl]methyl formate?
[3-(hydroxymethoxy)phenyl]methyl formate has a molecular weight of 182.18 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethoxy)phenyl]methyl formate is sourced from PubChem (CID 57136163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).