1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol

C18H24O2 — CID 114722905

IUPAC1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)c1cc2ccccc2o1
InChIInChI=1S/C18H24O2/c1-17(2,3)15-10-6-7-11-18(15,19)16-12-13-8-4-5-9-14(13)20-16/h4-5,8-9,12,15,19H,6-7,10-11H2,1-3H3
InChIKeyOWGFNRXIJWOJID-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.86
Rot. Bonds1

About 1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol

1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol (PubChem CID 114722905) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol
PubChem CID114722905
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)c1cc2ccccc2o1
InChIInChI=1S/C18H24O2/c1-17(2,3)15-10-6-7-11-18(15,19)16-12-13-8-4-5-9-14(13)20-16/h4-5,8-9,12,15,19H,6-7,10-11H2,1-3H3
InChIKeyOWGFNRXIJWOJID-UHFFFAOYSA-N
XLogP4.86
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol
CID 60925074
1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 114724396
1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol
CID 114723885
4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol
CID 23312254
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931
1-(1-benzofuran-2-yl)cyclohex-2-en-1-ol
CID 114724804
2-(1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114724481
6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine
CID 79331489
2-(1-benzofuran-2-yl)-2-ethylazepane
CID 114729734
1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol
CID 103564279
2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine
CID 63407963
2-(3-chloro-1-methylcyclopentyl)-1-benzofuran
CID 114734023

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol (CID 114722905) is 1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol is CC(C)(C)C1CCCCC1(O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol?
The InChIKey is OWGFNRXIJWOJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-17(2,3)15-10-6-7-11-18(15,19)16-12-13-8-4-5-9-14(13)20-16/h4-5,8-9,12,15,19H,6-7,10-11H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol?
1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 4.86, 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)-2-tert-butylcyclohexan-1-ol is sourced from PubChem (CID 114722905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).