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

C13H16O2 — CID 103564717

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C13H16O2/c1-9-7-13(14,8-9)11-2-3-12-10(6-11)4-5-15-12/h2-3,6,9,14H,4-5,7-8H2,1H3
InChIKeyWMBQYKBFFXLCLZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.24
Rot. Bonds1

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

1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol (PubChem CID 103564717) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol
PubChem CID103564717
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C13H16O2/c1-9-7-13(14,8-9)11-2-3-12-10(6-11)4-5-15-12/h2-3,6,9,14H,4-5,7-8H2,1H3
InChIKeyWMBQYKBFFXLCLZ-UHFFFAOYSA-N
XLogP2.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol
CID 113425025
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethoxycyclobutan-1-ol
CID 106823465
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)-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
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol
CID 131076574
[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylcyclopropyl]methanamine
CID 83705415
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine
CID 116856338
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol (CID 103564717) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol is CC1CC(O)(c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol?
The InChIKey is WMBQYKBFFXLCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-7-13(14,8-9)11-2-3-12-10(6-11)4-5-15-12/h2-3,6,9,14H,4-5,7-8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol is sourced from PubChem (CID 103564717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).