[methoxy(phenyl)boranyl] formate

C8H9BO3 — CID 174989602

IUPAC[methoxy(phenyl)boranyl] formate
SMILESCOB(OC=O)c1ccccc1
InChIInChI=1S/C8H9BO3/c1-11-9(12-7-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyNAVOUWYMAJEYKV-UHFFFAOYSA-N
MW163.97 g/mol
LogP0.20
Rot. Bonds4

About [methoxy(phenyl)boranyl] formate

[methoxy(phenyl)boranyl] formate (PubChem CID 174989602) has the molecular formula C8H9BO3 and a molecular weight of 163.97 g/mol. Its IUPAC name is [methoxy(phenyl)boranyl] formate.

Molecular Properties

Compound Name[methoxy(phenyl)boranyl] formate
PubChem CID174989602
Molecular FormulaC8H9BO3
Molecular Weight163.97 g/mol
Exact Mass164.06
IUPAC Name[methoxy(phenyl)boranyl] formate
SMILESCOB(OC=O)c1ccccc1
InChIInChI=1S/C8H9BO3/c1-11-9(12-7-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyNAVOUWYMAJEYKV-UHFFFAOYSA-N
XLogP0.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.97
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methoxy(phenyl)boranyl] formate?
The IUPAC name of [methoxy(phenyl)boranyl] formate (CID 174989602) is [methoxy(phenyl)boranyl] formate.
What is the SMILES notation for [methoxy(phenyl)boranyl] formate?
The canonical SMILES for [methoxy(phenyl)boranyl] formate is COB(OC=O)c1ccccc1.
What is the InChIKey of [methoxy(phenyl)boranyl] formate?
The InChIKey is NAVOUWYMAJEYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BO3/c1-11-9(12-7-10)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of [methoxy(phenyl)boranyl] formate?
[methoxy(phenyl)boranyl] formate has a molecular weight of 163.97 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(phenyl)boranyl] formate is sourced from PubChem (CID 174989602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).