1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol

C17H22O2 — CID 114724396

IUPAC1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)c1cc2ccccc2o1
InChIInChI=1S/C17H22O2/c1-12-11-16(2,3)8-9-17(12,18)15-10-13-6-4-5-7-14(13)19-15/h4-7,10,12,18H,8-9,11H2,1-3H3
InChIKeyQSHDMHARTHPOBV-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.47
Rot. Bonds1

About 1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol

1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol (PubChem CID 114724396) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol
PubChem CID114724396
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)c1cc2ccccc2o1
InChIInChI=1S/C17H22O2/c1-12-11-16(2,3)8-9-17(12,18)15-10-13-6-4-5-7-14(13)19-15/h4-7,10,12,18H,8-9,11H2,1-3H3
InChIKeyQSHDMHARTHPOBV-UHFFFAOYSA-N
XLogP4.47
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114724391
4-(1-benzofuran-2-yl)-1,3-dimethylpiperidin-4-ol
CID 23312254
1-(1-benzofuran-2-yl)-3,4-dimethylcyclohexan-1-ol
CID 114723885
1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol
CID 114722905
2-(1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114724481
1-(1-benzofuran-2-yl)-3-propan-2-ylcyclobutan-1-ol
CID 103564279
2-(3-chloro-1-methylcyclopentyl)-1-benzofuran
CID 114734023
2-(3-bromo-1-methylcyclopentyl)-1-benzofuran
CID 114734030
1-(1-benzofuran-2-yl)cyclohex-2-en-1-ol
CID 114724804
2,4,4-trimethyl-1-naphthalen-2-ylcyclopentan-1-ol
CID 106663884
6-(1-benzofuran-2-yl)bicyclo[3.1.0]hexan-6-amine
CID 79331489
2,4,4-trimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 81304523

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol (CID 114724396) is 1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol is CC1CC(C)(C)CCC1(O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol?
The InChIKey is QSHDMHARTHPOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-12-11-16(2,3)8-9-17(12,18)15-10-13-6-4-5-7-14(13)19-15/h4-7,10,12,18H,8-9,11H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol?
1-(1-benzofuran-2-yl)-2,4,4-trimethylcyclohexan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 4.47, 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)-2,4,4-trimethylcyclohexan-1-ol is sourced from PubChem (CID 114724396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).