(2-benzylphenyl) formate

C14H12O2 — CID 146231957

IUPAC(2-benzylphenyl) formate
SMILESO=COc1ccccc1Cc1ccccc1
InChIInChI=1S/C14H12O2/c15-11-16-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyAIXUJXOQAZPUBS-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.81
Rot. Bonds4

About (2-benzylphenyl) formate

(2-benzylphenyl) formate (PubChem CID 146231957) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2-benzylphenyl) formate.

Molecular Properties

Compound Name(2-benzylphenyl) formate
PubChem CID146231957
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name(2-benzylphenyl) formate
SMILESO=COc1ccccc1Cc1ccccc1
InChIInChI=1S/C14H12O2/c15-11-16-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyAIXUJXOQAZPUBS-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2-(2-methylprop-1-enoxy)benzene
CID 174614217
[2-(hydroxymethyl)phenyl] formate
CID 54203489
(2-propylphenyl) formate
CID 54498769
bis(2-benzylphenoxy)-oxophosphanium
CID 67546168
1-benzyl-2-phenoxybenzene;phosphane
CID 174871749
2-(2-benzylphenoxy)-2-oxoacetic acid
CID 141025614
bis(2-benzylphenoxy)-fluorophosphane
CID 54155008
1,2-dibenzyl-3-(2,3-dibenzylphenoxy)benzene
CID 18332089
(2-heptylphenyl) formate
CID 141284661
bis(2-benzylphenyl) fluoro phosphite
CID 70361410
(3-amino-4-benzylphenyl) formate
CID 158130008
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700

Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl) formate?
The IUPAC name of (2-benzylphenyl) formate (CID 146231957) is (2-benzylphenyl) formate.
What is the SMILES notation for (2-benzylphenyl) formate?
The canonical SMILES for (2-benzylphenyl) formate is O=COc1ccccc1Cc1ccccc1.
What is the InChIKey of (2-benzylphenyl) formate?
The InChIKey is AIXUJXOQAZPUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-11-16-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9,11H,10H2.
What are the key properties of (2-benzylphenyl) formate?
(2-benzylphenyl) formate has a molecular weight of 212.25 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl) formate is sourced from PubChem (CID 146231957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).