1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol

C15H18O2 — CID 103564279

IUPAC1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(c2cc3ccccc3o2)C1
InChIInChI=1S/C15H18O2/c1-10(2)12-8-15(16,9-12)14-7-11-5-3-4-6-13(11)17-14/h3-7,10,12,16H,8-9H2,1-2H3
InChIKeyYCRNYIREZBRTOD-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.69
Rot. Bonds2

About 1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol

1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol (PubChem CID 103564279) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol
PubChem CID103564279
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(c2cc3ccccc3o2)C1
InChIInChI=1S/C15H18O2/c1-10(2)12-8-15(16,9-12)14-7-11-5-3-4-6-13(11)17-14/h3-7,10,12,16H,8-9H2,1-2H3
InChIKeyYCRNYIREZBRTOD-UHFFFAOYSA-N
XLogP3.69
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol
CID 114723885
1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 114724396
2-(3-chloro-1-methylcyclopentyl)-1-benzofuran
CID 114734023
2-(1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114724481
3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol
CID 103564190
2-(3-bromo-1-methylcyclopentyl)-1-benzofuran
CID 114734030
4-(1-benzofuran-2-yl)-1-propylazepan-4-ol
CID 114723963
4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol
CID 23312254
1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol
CID 114722905
1-(1-benzofuran-2-yl)cyclohex-2-en-1-ol
CID 114724804
6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine
CID 79331489
N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine
CID 115592636

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol (CID 103564279) is 1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol is CC(C)C1CC(O)(c2cc3ccccc3o2)C1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol?
The InChIKey is YCRNYIREZBRTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10(2)12-8-15(16,9-12)14-7-11-5-3-4-6-13(11)17-14/h3-7,10,12,16H,8-9H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol?
1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 103564279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).