benzyl formate

C8H8O2 — CID 7708

IUPACbenzyl formate
SMILESO=COCc1ccccc1
InChIInChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyUYWQUFXKFGHYNT-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.36
Rot. Bonds3

About benzyl formate

benzyl formate (PubChem CID 7708) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is benzyl formate.

Molecular Properties

Compound Namebenzyl formate
PubChem CID7708
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Namebenzyl formate
SMILESO=COCc1ccccc1
InChIInChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyUYWQUFXKFGHYNT-UHFFFAOYSA-N
XLogP1.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl formate?
The IUPAC name of benzyl formate (CID 7708) is benzyl formate.
What is the SMILES notation for benzyl formate?
The canonical SMILES for benzyl formate is O=COCc1ccccc1.
What is the InChIKey of benzyl formate?
The InChIKey is UYWQUFXKFGHYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of benzyl formate?
benzyl formate has a molecular weight of 136.15 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl formate is sourced from PubChem (CID 7708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).