1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol

C16H20O2 — CID 114723885

IUPAC1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(c2cc3ccccc3o2)CC1C
InChIInChI=1S/C16H20O2/c1-11-7-8-16(17,10-12(11)2)15-9-13-5-3-4-6-14(13)18-15/h3-6,9,11-12,17H,7-8,10H2,1-2H3
InChIKeyCKZDYHQJQQLZFS-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.08
Rot. Bonds1

About 1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol

1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol (PubChem CID 114723885) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol
PubChem CID114723885
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(c2cc3ccccc3o2)CC1C
InChIInChI=1S/C16H20O2/c1-11-7-8-16(17,10-12(11)2)15-9-13-5-3-4-6-14(13)18-15/h3-6,9,11-12,17H,7-8,10H2,1-2H3
InChIKeyCKZDYHQJQQLZFS-UHFFFAOYSA-N
XLogP4.08
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol
CID 103564279
1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 114724396
2-(3-chloro-1-methylcyclopentyl)-1-benzofuran
CID 114734023
2-(3-bromo-1-methylcyclopentyl)-1-benzofuran
CID 114734030
2-(1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114724481
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-benzofuran-2-yl-(2-methylcyclopentyl)methanone
CID 107187534
6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine
CID 79331489
4-(1-benzofuran-2-yl)-1-propylazepan-4-ol
CID 114723963
1-(1-benzofuran-2-yl)cyclohex-2-en-1-ol
CID 114724804
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol (CID 114723885) is 1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol is CC1CCC(O)(c2cc3ccccc3o2)CC1C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol?
The InChIKey is CKZDYHQJQQLZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11-7-8-16(17,10-12(11)2)15-9-13-5-3-4-6-14(13)18-15/h3-6,9,11-12,17H,7-8,10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol?
1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol has a molecular weight of 244.33 g/mol, XLogP of 4.08, 1 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)-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 114723885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).