[1-(1-benzofuran-3-yl)cyclobutyl]methanol

C13H14O2 — CID 116963820

IUPAC[1-(1-benzofuran-3-yl)cyclobutyl]methanol
SMILESOCC1(c2coc3ccccc23)CCC1
InChIInChI=1S/C13H14O2/c14-9-13(6-3-7-13)11-8-15-12-5-2-1-4-10(11)12/h1-2,4-5,8,14H,3,6-7,9H2
InChIKeyCCAAOGJZVCNURM-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.85
Rot. Bonds2

About [1-(1-benzofuran-3-yl)cyclobutyl]methanol

[1-(1-benzofuran-3-yl)cyclobutyl]methanol (PubChem CID 116963820) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is [1-(1-benzofuran-3-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(1-benzofuran-3-yl)cyclobutyl]methanol
PubChem CID116963820
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name[1-(1-benzofuran-3-yl)cyclobutyl]methanol
SMILESOCC1(c2coc3ccccc23)CCC1
InChIInChI=1S/C13H14O2/c14-9-13(6-3-7-13)11-8-15-12-5-2-1-4-10(11)12/h1-2,4-5,8,14H,3,6-7,9H2
InChIKeyCCAAOGJZVCNURM-UHFFFAOYSA-N
XLogP2.85
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-benzofuran-3-yl)cyclopentyl]methanamine
CID 82613639
[1-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]cyclobutyl]methanol
CID 116882462
1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile
CID 83699241
3-(1-benzofuran-3-yl)azetidin-3-ol
CID 142712047
1-[[1-(1-benzofuran-3-yl)cyclopentyl]methyl]-1-benzyl-3-(2,4,6-trifluorophenyl)urea
CID 139654751
[1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol
CID 115763206
3-(1-isocyanatocyclopropyl)-1-benzofuran
CID 84775191
1-(1-benzofuran-3-yl)-6-methyl-8-azabicyclo[3.2.1]octane
CID 86344297
1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 115183832
1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 78963908
1-[1-benzofuran-3-yl(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958973
1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile
CID 116929257

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzofuran-3-yl)cyclobutyl]methanol?
The IUPAC name of [1-(1-benzofuran-3-yl)cyclobutyl]methanol (CID 116963820) is [1-(1-benzofuran-3-yl)cyclobutyl]methanol.
What is the SMILES notation for [1-(1-benzofuran-3-yl)cyclobutyl]methanol?
The canonical SMILES for [1-(1-benzofuran-3-yl)cyclobutyl]methanol is OCC1(c2coc3ccccc23)CCC1.
What is the InChIKey of [1-(1-benzofuran-3-yl)cyclobutyl]methanol?
The InChIKey is CCAAOGJZVCNURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-9-13(6-3-7-13)11-8-15-12-5-2-1-4-10(11)12/h1-2,4-5,8,14H,3,6-7,9H2.
What are the key properties of [1-(1-benzofuran-3-yl)cyclobutyl]methanol?
[1-(1-benzofuran-3-yl)cyclobutyl]methanol has a molecular weight of 202.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzofuran-3-yl)cyclobutyl]methanol is sourced from PubChem (CID 116963820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).