[1-(4-ethoxyphenyl)cyclobutyl] formate

C13H16O3 — CID 57134762

IUPAC[1-(4-ethoxyphenyl)cyclobutyl] formate
SMILESCCOc1ccc(C2(OC=O)CCC2)cc1
InChIInChI=1S/C13H16O3/c1-2-15-12-6-4-11(5-7-12)13(16-10-14)8-3-9-13/h4-7,10H,2-3,8-9H2,1H3
InChIKeyPBBTXZIUGUJYFW-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.64
Rot. Bonds5

About [1-(4-ethoxyphenyl)cyclobutyl] formate

[1-(4-ethoxyphenyl)cyclobutyl] formate (PubChem CID 57134762) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)cyclobutyl] formate.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)cyclobutyl] formate
PubChem CID57134762
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name[1-(4-ethoxyphenyl)cyclobutyl] formate
SMILESCCOc1ccc(C2(OC=O)CCC2)cc1
InChIInChI=1S/C13H16O3/c1-2-15-12-6-4-11(5-7-12)13(16-10-14)8-3-9-13/h4-7,10H,2-3,8-9H2,1H3
InChIKeyPBBTXZIUGUJYFW-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate
CID 57217478
[(1S)-1-(4-ethoxyphenyl)-2,2,3,3-tetrafluorocyclobutyl] formate
CID 88627301
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009061
1-(4-ethoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844292
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
2-(4-ethoxyphenyl)-2-methylpyrrolidine
CID 66467822
N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63510236
(4-ethoxyphenyl)-(1-phenylcyclobutyl)methanone
CID 63410078
2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
CID 87512433
[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008279
1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83701496

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)cyclobutyl] formate?
The IUPAC name of [1-(4-ethoxyphenyl)cyclobutyl] formate (CID 57134762) is [1-(4-ethoxyphenyl)cyclobutyl] formate.
What is the SMILES notation for [1-(4-ethoxyphenyl)cyclobutyl] formate?
The canonical SMILES for [1-(4-ethoxyphenyl)cyclobutyl] formate is CCOc1ccc(C2(OC=O)CCC2)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)cyclobutyl] formate?
The InChIKey is PBBTXZIUGUJYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-15-12-6-4-11(5-7-12)13(16-10-14)8-3-9-13/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of [1-(4-ethoxyphenyl)cyclobutyl] formate?
[1-(4-ethoxyphenyl)cyclobutyl] formate has a molecular weight of 220.27 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)cyclobutyl] formate is sourced from PubChem (CID 57134762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).