5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol

C18H25NO2 — CID 10320116

IUPAC5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol
SMILESCC1Cc2ccccc2C(C2C(O)CC(C)(C)CC2O)=N1
InChIInChI=1S/C18H25NO2/c1-11-8-12-6-4-5-7-13(12)17(19-11)16-14(20)9-18(2,3)10-15(16)21/h4-7,11,14-16,20-21H,8-10H2,1-3H3
InChIKeyZDDNAYYVITWVNG-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.58
Rot. Bonds1

About 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol

5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol (PubChem CID 10320116) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol.

Molecular Properties

Compound Name5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol
PubChem CID10320116
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol
SMILESCC1Cc2ccccc2C(C2C(O)CC(C)(C)CC2O)=N1
InChIInChI=1S/C18H25NO2/c1-11-8-12-6-4-5-7-13(12)17(19-11)16-14(20)9-18(2,3)10-15(16)21/h4-7,11,14-16,20-21H,8-10H2,1-3H3
InChIKeyZDDNAYYVITWVNG-UHFFFAOYSA-N
XLogP2.58
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol with MolForge

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Related Compounds

2-(3,4-Dihydroisoquinolin-1-yl)propane-1,3-diol
CID 70424448
4-Methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
CID 141121961
4-[3-(Hydroxymethyl)-1-methyl-3,4-dihydroisoquinolin-5-yl]-2-methylbutan-2-ol
CID 141419580
1-(1-Phenyl-3,4-dihydroisoquinolin-3-yl)ethanol
CID 145800166
1-(1-Phenyl-3,4-dihydroisoquinolin-3-yl)ethanol;hydrochloride
CID 145800167
1-(7-Methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol
CID 145804301
(1-Tert-butyl-3,4-dihydroisoquinolin-3-yl)methanol
CID 175879148
copper;2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethylcyclohexane-1,3-diol;dichloride
CID 9980431
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethylcyclohexane-1,3-diol
CID 9980432
ZINC;5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol;dichloride
CID 10320115

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol?
The IUPAC name of 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol (CID 10320116) is 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol.
What is the SMILES notation for 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol?
The canonical SMILES for 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol is CC1Cc2ccccc2C(C2C(O)CC(C)(C)CC2O)=N1.
What is the InChIKey of 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol?
The InChIKey is ZDDNAYYVITWVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-11-8-12-6-4-5-7-13(12)17(19-11)16-14(20)9-18(2,3)10-15(16)21/h4-7,11,14-16,20-21H,8-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol?
5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol has a molecular weight of 287.40 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol is sourced from PubChem (CID 10320116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).