2-phenylethenyl formate

C9H8O2 — CID 23036650

IUPAC2-phenylethenyl formate
SMILESO=COC=Cc1ccccc1
InChIInChI=1S/C9H8O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-8H
InChIKeyNAPAKLVBKQPYID-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.83
Rot. Bonds3

About 2-phenylethenyl formate

2-phenylethenyl formate (PubChem CID 23036650) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-phenylethenyl formate.

Molecular Properties

Compound Name2-phenylethenyl formate
PubChem CID23036650
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name2-phenylethenyl formate
SMILESO=COC=Cc1ccccc1
InChIInChI=1S/C9H8O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-8H
InChIKeyNAPAKLVBKQPYID-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.83
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethenyl formate?
The IUPAC name of 2-phenylethenyl formate (CID 23036650) is 2-phenylethenyl formate.
What is the SMILES notation for 2-phenylethenyl formate?
The canonical SMILES for 2-phenylethenyl formate is O=COC=Cc1ccccc1.
What is the InChIKey of 2-phenylethenyl formate?
The InChIKey is NAPAKLVBKQPYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-phenylethenyl formate?
2-phenylethenyl formate has a molecular weight of 148.16 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethenyl formate is sourced from PubChem (CID 23036650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).