3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol

C14H18O3 — CID 81416194

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol
SMILESCCC1C(O)CC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H18O3/c1-2-10-11(8-12(10)15)9-3-4-13-14(7-9)17-6-5-16-13/h3-4,7,10-12,15H,2,5-6,8H2,1H3
InChIKeyLCLKIRQSXUFAHT-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.33
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol (PubChem CID 81416194) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol
PubChem CID81416194
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol
SMILESCCC1C(O)CC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H18O3/c1-2-10-11(8-12(10)15)9-3-4-13-14(7-9)17-6-5-16-13/h3-4,7,10-12,15H,2,5-6,8H2,1H3
InChIKeyLCLKIRQSXUFAHT-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol 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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-amine
CID 81416353
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine
CID 62763290
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine
CID 62801783
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylcyclobutan-1-one
CID 81415943
1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-1-hydroxyurea
CID 19894244
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethylpyrrolidin-2-one
CID 66106342
[(1R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197766
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine
CID 81415516
[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 62709080

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol (CID 81416194) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol is CCC1C(O)CC1c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol?
The InChIKey is LCLKIRQSXUFAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-10-11(8-12(10)15)9-3-4-13-14(7-9)17-6-5-16-13/h3-4,7,10-12,15H,2,5-6,8H2,1H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol has a molecular weight of 234.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylcyclobutan-1-ol is sourced from PubChem (CID 81416194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).