1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol

C14H18O3 — CID 106823465

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C14H18O3/c1-2-16-12-8-14(15,9-12)11-3-4-13-10(7-11)5-6-17-13/h3-4,7,12,15H,2,5-6,8-9H2,1H3
InChIKeySHDAFBJCLLMZBK-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.01
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol

1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol (PubChem CID 106823465) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol
PubChem CID106823465
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C14H18O3/c1-2-16-12-8-14(15,9-12)11-3-4-13-10(7-11)5-6-17-13/h3-4,7,12,15H,2,5-6,8-9H2,1H3
InChIKeySHDAFBJCLLMZBK-UHFFFAOYSA-N
XLogP2.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxycyclobutan-1-ol
CID 106823257
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol
CID 103564717
7-(2,3-dihydro-1-benzofuran-5-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171960062
1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol
CID 113425025
1-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 104542080
4-(2,3-dihydro-1-benzofuran-5-yl)-2-propan-2-yloxan-4-ol
CID 104542076
1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449797
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one
CID 103167866
ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-methyloxirane-2-carboxylate
CID 116862271
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene
CID 103165849
3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol
CID 131076574

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol (CID 106823465) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol is CCOC1CC(O)(c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol?
The InChIKey is SHDAFBJCLLMZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-16-12-8-14(15,9-12)11-3-4-13-10(7-11)5-6-17-13/h3-4,7,12,15H,2,5-6,8-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol has a molecular weight of 234.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol is sourced from PubChem (CID 106823465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).