2-(2-ethylphenyl)ethyl formate

C11H14O2 — CID 58551958

IUPAC2-(2-ethylphenyl)ethyl formate
SMILESCCc1ccccc1CCOC=O
InChIInChI=1S/C11H14O2/c1-2-10-5-3-4-6-11(10)7-8-13-9-12/h3-6,9H,2,7-8H2,1H3
InChIKeyITYDZSBTVNWOET-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.96
Rot. Bonds5

About 2-(2-ethylphenyl)ethyl formate

2-(2-ethylphenyl)ethyl formate (PubChem CID 58551958) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(2-ethylphenyl)ethyl formate.

Molecular Properties

Compound Name2-(2-ethylphenyl)ethyl formate
PubChem CID58551958
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(2-ethylphenyl)ethyl formate
SMILESCCc1ccccc1CCOC=O
InChIInChI=1S/C11H14O2/c1-2-10-5-3-4-6-11(10)7-8-13-9-12/h3-6,9H,2,7-8H2,1H3
InChIKeyITYDZSBTVNWOET-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[2-[2-(2-ethylphenyl)ethoxy]ethyl]benzene
CID 139601615
2-(2-cyanophenyl)ethyl formate
CID 87149714
2-[2-(trifluoromethoxy)phenyl]ethyl formate
CID 87333917
1,2-diethylbenzene;propanal
CID 174478177
1,2-diethylbenzene;formamide
CID 157370947
1,2-diethylbenzene;hydrobromide
CID 174973685
2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119
1-(3-ethoxypropyl)-2-ethylbenzene
CID 143469114
1,2-diethylbenzene;silyloxysilane
CID 158803052
2-pyrimidin-2-ylethyl formate
CID 173035298
2-(4-oxoquinolizin-3-yl)ethyl formate
CID 175086067
1-ethyl-2-[[2-(2-formyloxyethyl)cyclohex-2-en-1-yl]-sulfinatoamino]benzene
CID 174471300

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)ethyl formate?
The IUPAC name of 2-(2-ethylphenyl)ethyl formate (CID 58551958) is 2-(2-ethylphenyl)ethyl formate.
What is the SMILES notation for 2-(2-ethylphenyl)ethyl formate?
The canonical SMILES for 2-(2-ethylphenyl)ethyl formate is CCc1ccccc1CCOC=O.
What is the InChIKey of 2-(2-ethylphenyl)ethyl formate?
The InChIKey is ITYDZSBTVNWOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-10-5-3-4-6-11(10)7-8-13-9-12/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 2-(2-ethylphenyl)ethyl formate?
2-(2-ethylphenyl)ethyl formate has a molecular weight of 178.23 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)ethyl formate is sourced from PubChem (CID 58551958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).