1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol

C14H19NO2 — CID 106823260

IUPAC1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(C2NCc3ccccc32)C1
InChIInChI=1S/C14H19NO2/c1-2-17-11-7-14(16,8-11)13-12-6-4-3-5-10(12)9-15-13/h3-6,11,13,15-16H,2,7-9H2,1H3
InChIKeyOJAPSQMNNBAUEQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.76
Rot. Bonds3

About 1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol

1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol (PubChem CID 106823260) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol
PubChem CID106823260
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(C2NCc3ccccc32)C1
InChIInChI=1S/C14H19NO2/c1-2-17-11-7-14(16,8-11)13-12-6-4-3-5-10(12)9-15-13/h3-6,11,13,15-16H,2,7-9H2,1H3
InChIKeyOJAPSQMNNBAUEQ-UHFFFAOYSA-N
XLogP1.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65042082
1-(2,3-dihydro-1H-isoindol-1-yl)cyclobutan-1-ol
CID 79080572
1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol
CID 65041706
3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
CID 106873973
3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol
CID 65041986
1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol
CID 65042192
1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole
CID 65042203
[1-(1,3-dihydroisoindol-2-yl)-3-ethoxycyclobutyl]methanamine
CID 106821998
1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol
CID 106823344
1-ethoxy-2,3-dihydro-1H-inden-2-ol
CID 12602279
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine
CID 112565836

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol (CID 106823260) is 1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol is CCOC1CC(O)(C2NCc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol?
The InChIKey is OJAPSQMNNBAUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-17-11-7-14(16,8-11)13-12-6-4-3-5-10(12)9-15-13/h3-6,11,13,15-16H,2,7-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol?
1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol is sourced from PubChem (CID 106823260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).