benzene;ethenyl formate

C9H10O2 — CID 160928182

IUPACbenzene;ethenyl formate
SMILESC=COC=O.c1ccccc1
InChIInChI=1S/C6H6.C3H4O2/c1-2-4-6-5-3-1;1-2-5-3-4/h1-6H;2-3H,1H2
InChIKeySSXKQZVOLWTKCX-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.99
Rot. Bonds2

About benzene;ethenyl formate

benzene;ethenyl formate (PubChem CID 160928182) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is benzene;ethenyl formate.

Molecular Properties

Compound Namebenzene;ethenyl formate
PubChem CID160928182
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Namebenzene;ethenyl formate
SMILESC=COC=O.c1ccccc1
InChIInChI=1S/C6H6.C3H4O2/c1-2-4-6-5-3-1;1-2-5-3-4/h1-6H;2-3H,1H2
InChIKeySSXKQZVOLWTKCX-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze benzene;ethenyl 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 benzene;ethenyl formate?
The IUPAC name of benzene;ethenyl formate (CID 160928182) is benzene;ethenyl formate.
What is the SMILES notation for benzene;ethenyl formate?
The canonical SMILES for benzene;ethenyl formate is C=COC=O.c1ccccc1.
What is the InChIKey of benzene;ethenyl formate?
The InChIKey is SSXKQZVOLWTKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H4O2/c1-2-4-6-5-3-1;1-2-5-3-4/h1-6H;2-3H,1H2.
What are the key properties of benzene;ethenyl formate?
benzene;ethenyl formate has a molecular weight of 150.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethenyl formate is sourced from PubChem (CID 160928182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).