(3-formyloxyphenyl) formate

C8H6O4 — CID 18792339

IUPAC(3-formyloxyphenyl) formate
SMILESO=COc1cccc(OC=O)c1
InChIInChI=1S/C8H6O4/c9-5-11-7-2-1-3-8(4-7)12-6-10/h1-6H
InChIKeyUFRODZBHIVGTFC-UHFFFAOYSA-N
MW166.13 g/mol
LogP0.76
Rot. Bonds4

About (3-formyloxyphenyl) formate

(3-formyloxyphenyl) formate (PubChem CID 18792339) has the molecular formula C8H6O4 and a molecular weight of 166.13 g/mol. Its IUPAC name is (3-formyloxyphenyl) formate.

Molecular Properties

Compound Name(3-formyloxyphenyl) formate
PubChem CID18792339
Molecular FormulaC8H6O4
Molecular Weight166.13 g/mol
Exact Mass166.03
IUPAC Name(3-formyloxyphenyl) formate
SMILESO=COc1cccc(OC=O)c1
InChIInChI=1S/C8H6O4/c9-5-11-7-2-1-3-8(4-7)12-6-10/h1-6H
InChIKeyUFRODZBHIVGTFC-UHFFFAOYSA-N
XLogP0.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-formyloxyphenyl) formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-formyloxyphenyl) formate?
The IUPAC name of (3-formyloxyphenyl) formate (CID 18792339) is (3-formyloxyphenyl) formate.
What is the SMILES notation for (3-formyloxyphenyl) formate?
The canonical SMILES for (3-formyloxyphenyl) formate is O=COc1cccc(OC=O)c1.
What is the InChIKey of (3-formyloxyphenyl) formate?
The InChIKey is UFRODZBHIVGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4/c9-5-11-7-2-1-3-8(4-7)12-6-10/h1-6H.
What are the key properties of (3-formyloxyphenyl) formate?
(3-formyloxyphenyl) formate has a molecular weight of 166.13 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formyloxyphenyl) formate is sourced from PubChem (CID 18792339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).