1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol

C18H23NO — CID 62811614

IUPAC1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(c2cccc3cnccc23)C1
InChIInChI=1S/C18H23NO/c1-13-9-17(2,3)12-18(20,10-13)16-6-4-5-14-11-19-8-7-15(14)16/h4-8,11,13,20H,9-10,12H2,1-3H3
InChIKeyHKIXGCVBZYTSMB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.27
Rot. Bonds1

About 1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol

1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol (PubChem CID 62811614) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol
PubChem CID62811614
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(c2cccc3cnccc23)C1
InChIInChI=1S/C18H23NO/c1-13-9-17(2,3)12-18(20,10-13)16-6-4-5-14-11-19-8-7-15(14)16/h4-8,11,13,20H,9-10,12H2,1-3H3
InChIKeyHKIXGCVBZYTSMB-UHFFFAOYSA-N
XLogP4.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol with MolForge

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Related Compounds

3-isoquinolin-5-yl-5,5-dimethylthian-3-ol
CID 79946733
1-isoquinolin-5-yl-4-methylcycloheptan-1-ol
CID 65084645
3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol
CID 106823348
1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine
CID 64752040
1-isoquinolin-5-yl-4-methylcyclohexan-1-amine
CID 55119185
(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)-[(1S,2R)-1-methyl-2-phenylcyclopropyl]methanone
CID 166254624
1-isoquinolin-5-yl-4-methylcycloheptan-1-amine
CID 65080207
2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one
CID 126827430
1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)-3-methylbut-2-en-1-one
CID 126827427
3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114722876
5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol
CID 116531636
7-isoquinolin-8-yl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171956058

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol?
The IUPAC name of 1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol (CID 62811614) is 1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol is CC1CC(C)(C)CC(O)(c2cccc3cnccc23)C1.
What is the InChIKey of 1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol?
The InChIKey is HKIXGCVBZYTSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-9-17(2,3)12-18(20,10-13)16-6-4-5-14-11-19-8-7-15(14)16/h4-8,11,13,20H,9-10,12H2,1-3H3.
What are the key properties of 1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol?
1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol is sourced from PubChem (CID 62811614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).