3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol

C17H21NO2 — CID 106873976

IUPAC3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
SMILESCOC1CCCC(O)(c2ccc3nc(C)ccc3c2)C1
InChIInChI=1S/C17H21NO2/c1-12-5-6-13-10-14(7-8-16(13)18-12)17(19)9-3-4-15(11-17)20-2/h5-8,10,15,19H,3-4,9,11H2,1-2H3
InChIKeyIDFQWNPPXPFOKO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.32
Rot. Bonds2

About 3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol

3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol (PubChem CID 106873976) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
PubChem CID106873976
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
SMILESCOC1CCCC(O)(c2ccc3nc(C)ccc3c2)C1
InChIInChI=1S/C17H21NO2/c1-12-5-6-13-10-14(7-8-16(13)18-12)17(19)9-3-4-15(11-17)20-2/h5-8,10,15,19H,3-4,9,11H2,1-2H3
InChIKeyIDFQWNPPXPFOKO-UHFFFAOYSA-N
XLogP3.32
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 81215757
2,3-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 81216138
4-amino-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 81216154
2,4,4-trimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 81304523
1-(2-methylquinolin-6-yl)-4-propylcyclohexan-1-ol
CID 81197781
1-methyl-4-(2-methylquinolin-6-yl)piperidin-4-ol
CID 56750238
1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol
CID 106874129
2,4-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 81216498
1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol
CID 81467927
2,5-dimethyl-1-(2-methylquinolin-6-yl)cyclohexan-1-amine
CID 81216311
6-(2-cyclopropylpyrrolidin-2-yl)-2-methylquinoline
CID 81231708
6-[(3-methoxypiperidin-1-yl)methyl]-2-methylquinoline
CID 126778484

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol?
The IUPAC name of 3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol (CID 106873976) is 3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol?
The canonical SMILES for 3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol is COC1CCCC(O)(c2ccc3nc(C)ccc3c2)C1.
What is the InChIKey of 3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol?
The InChIKey is IDFQWNPPXPFOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-5-6-13-10-14(7-8-16(13)18-12)17(19)9-3-4-15(11-17)20-2/h5-8,10,15,19H,3-4,9,11H2,1-2H3.
What are the key properties of 3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol?
3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol is sourced from PubChem (CID 106873976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).