2-(2-phenoxyethoxy)ethyl formate

C11H14O4 — CID 88533287

IUPAC2-(2-phenoxyethoxy)ethyl formate
SMILESO=COCCOCCOc1ccccc1
InChIInChI=1S/C11H14O4/c12-10-14-7-6-13-8-9-15-11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeySJEDKPAWCFYXEJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.25
Rot. Bonds8

About 2-(2-phenoxyethoxy)ethyl formate

2-(2-phenoxyethoxy)ethyl formate (PubChem CID 88533287) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)ethyl formate.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)ethyl formate
PubChem CID88533287
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(2-phenoxyethoxy)ethyl formate
SMILESO=COCCOCCOc1ccccc1
InChIInChI=1S/C11H14O4/c12-10-14-7-6-13-8-9-15-11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeySJEDKPAWCFYXEJ-UHFFFAOYSA-N
XLogP1.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-phenoxyethoxy)ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-2-yloxyethyl formate
CID 54350487
2-(2-phenoxyethoxy)ethanol
CID 7715
2-(2-anilinoethoxy)ethyl formate
CID 102065077
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-(3-chloropropoxy)ethoxybenzene
CID 24689326
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-phenoxyethylmercury
CID 163598363
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
2-(3-bromopropoxy)ethoxybenzene
CID 43135436
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
CID 10908928
CID 10908928

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)ethyl formate?
The IUPAC name of 2-(2-phenoxyethoxy)ethyl formate (CID 88533287) is 2-(2-phenoxyethoxy)ethyl formate.
What is the SMILES notation for 2-(2-phenoxyethoxy)ethyl formate?
The canonical SMILES for 2-(2-phenoxyethoxy)ethyl formate is O=COCCOCCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethoxy)ethyl formate?
The InChIKey is SJEDKPAWCFYXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c12-10-14-7-6-13-8-9-15-11-4-2-1-3-5-11/h1-5,10H,6-9H2.
What are the key properties of 2-(2-phenoxyethoxy)ethyl formate?
2-(2-phenoxyethoxy)ethyl formate has a molecular weight of 210.23 g/mol, XLogP of 1.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)ethyl formate is sourced from PubChem (CID 88533287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).