(2-ethenyl-6-phenylphenyl)methyl formate

C16H14O2 — CID 174757739

IUPAC(2-ethenyl-6-phenylphenyl)methyl formate
SMILESC=Cc1cccc(-c2ccccc2)c1COC=O
InChIInChI=1S/C16H14O2/c1-2-13-9-6-10-15(16(13)11-18-12-17)14-7-4-3-5-8-14/h2-10,12H,1,11H2
InChIKeyJFSYHUZOQHLINQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.67
Rot. Bonds5

About (2-ethenyl-6-phenylphenyl)methyl formate

(2-ethenyl-6-phenylphenyl)methyl formate (PubChem CID 174757739) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2-ethenyl-6-phenylphenyl)methyl formate.

Molecular Properties

Compound Name(2-ethenyl-6-phenylphenyl)methyl formate
PubChem CID174757739
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(2-ethenyl-6-phenylphenyl)methyl formate
SMILESC=Cc1cccc(-c2ccccc2)c1COC=O
InChIInChI=1S/C16H14O2/c1-2-13-9-6-10-15(16(13)11-18-12-17)14-7-4-3-5-8-14/h2-10,12H,1,11H2
InChIKeyJFSYHUZOQHLINQ-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-ethenyl-6-phenylphenyl)methyl 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 (2-ethenyl-6-phenylphenyl)methyl formate?
The IUPAC name of (2-ethenyl-6-phenylphenyl)methyl formate (CID 174757739) is (2-ethenyl-6-phenylphenyl)methyl formate.
What is the SMILES notation for (2-ethenyl-6-phenylphenyl)methyl formate?
The canonical SMILES for (2-ethenyl-6-phenylphenyl)methyl formate is C=Cc1cccc(-c2ccccc2)c1COC=O.
What is the InChIKey of (2-ethenyl-6-phenylphenyl)methyl formate?
The InChIKey is JFSYHUZOQHLINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-13-9-6-10-15(16(13)11-18-12-17)14-7-4-3-5-8-14/h2-10,12H,1,11H2.
What are the key properties of (2-ethenyl-6-phenylphenyl)methyl formate?
(2-ethenyl-6-phenylphenyl)methyl formate has a molecular weight of 238.29 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-6-phenylphenyl)methyl formate is sourced from PubChem (CID 174757739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).