(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol

C18H23NO — CID 104504589

IUPAC(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol
SMILESCC1CC(C)CC(C(O)c2cncc3ccccc23)C1
InChIInChI=1S/C18H23NO/c1-12-7-13(2)9-15(8-12)18(20)17-11-19-10-14-5-3-4-6-16(14)17/h3-6,10-13,15,18,20H,7-9H2,1-2H3
InChIKeyGRXYXMQLWLQAEO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.34
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol

(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol (PubChem CID 104504589) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol
PubChem CID104504589
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol
SMILESCC1CC(C)CC(C(O)c2cncc3ccccc23)C1
InChIInChI=1S/C18H23NO/c1-12-7-13(2)9-15(8-12)18(20)17-11-19-10-14-5-3-4-6-16(14)17/h3-6,10-13,15,18,20H,7-9H2,1-2H3
InChIKeyGRXYXMQLWLQAEO-UHFFFAOYSA-N
XLogP4.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol
CID 115797918
isoquinolin-4-yl-(3-methylcyclohexyl)methanamine
CID 63938819
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
CID 115798046
isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622205
(1,4-dimethylpiperazin-2-yl)-isoquinolin-4-ylmethanol
CID 79659479
1-isoquinolin-4-yl-2-methoxyethanol
CID 63940937
2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol
CID 116755033
cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol
CID 79197515

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol?
The IUPAC name of (3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol (CID 104504589) is (3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol?
The canonical SMILES for (3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol is CC1CC(C)CC(C(O)c2cncc3ccccc23)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol?
The InChIKey is GRXYXMQLWLQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-7-13(2)9-15(8-12)18(20)17-11-19-10-14-5-3-4-6-16(14)17/h3-6,10-13,15,18,20H,7-9H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol?
(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol has a molecular weight of 269.39 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol is sourced from PubChem (CID 104504589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).