(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol

C17H27NO3 — CID 116755046

IUPAC(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
SMILESCOC1(C(O)c2cncc(OC(C)C)c2)CCCC(C)C1
InChIInChI=1S/C17H27NO3/c1-12(2)21-15-8-14(10-18-11-15)16(19)17(20-4)7-5-6-13(3)9-17/h8,10-13,16,19H,5-7,9H2,1-4H3
InChIKeyFDOCQYFIBGHRIZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.50
Rot. Bonds5

About (1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol

(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol (PubChem CID 116755046) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
PubChem CID116755046
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
SMILESCOC1(C(O)c2cncc(OC(C)C)c2)CCCC(C)C1
InChIInChI=1S/C17H27NO3/c1-12(2)21-15-8-14(10-18-11-15)16(19)17(20-4)7-5-6-13(3)9-17/h8,10-13,16,19H,5-7,9H2,1-4H3
InChIKeyFDOCQYFIBGHRIZ-UHFFFAOYSA-N
XLogP3.50
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol with MolForge

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Related Compounds

(1-methoxy-4-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 116766242
(1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol
CID 116755152
1-(5-ethoxy-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767768
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 116714615
isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol
CID 116755033
(1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol
CID 116754992
(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol
CID 116710441
(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methanol
CID 104610441
1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767893
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 116714896
(2,2-dimethylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 107190563
(5-fluoro-3-pyridinyl)-(1-methoxycyclopentyl)methanol
CID 104610410

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The IUPAC name of (1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol (CID 116755046) is (1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol.
What is the SMILES notation for (1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The canonical SMILES for (1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol is COC1(C(O)c2cncc(OC(C)C)c2)CCCC(C)C1.
What is the InChIKey of (1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The InChIKey is FDOCQYFIBGHRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)21-15-8-14(10-18-11-15)16(19)17(20-4)7-5-6-13(3)9-17/h8,10-13,16,19H,5-7,9H2,1-4H3.
What are the key properties of (1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol has a molecular weight of 293.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol is sourced from PubChem (CID 116755046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).