(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol

C17H25NO2 — CID 103277657

IUPAC(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
SMILESCC1=CC(C)CC(C(O)c2cncc(OC(C)C)c2)C1
InChIInChI=1S/C17H25NO2/c1-11(2)20-16-8-15(9-18-10-16)17(19)14-6-12(3)5-13(4)7-14/h5,8-12,14,17,19H,6-7H2,1-4H3
InChIKeyGVJPYJLZRQPVEI-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.89
Rot. Bonds4

About (3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol

(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol (PubChem CID 103277657) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
PubChem CID103277657
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
SMILESCC1=CC(C)CC(C(O)c2cncc(OC(C)C)c2)C1
InChIInChI=1S/C17H25NO2/c1-11(2)20-16-8-15(9-18-10-16)17(19)14-6-12(3)5-13(4)7-14/h5,8-12,14,17,19H,6-7H2,1-4H3
InChIKeyGVJPYJLZRQPVEI-UHFFFAOYSA-N
XLogP3.89
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol with MolForge

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Related Compounds

(3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 103277476
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944
piperidin-2-yl-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 106634630
(3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 107559711
(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol
CID 103277555
(3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol
CID 103277579
(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 103277687
2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol
CID 103547597
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105121215
(5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115829389
1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
CID 103277645
3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol
CID 115829399

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol (CID 103277657) is (3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol.
What is the SMILES notation for (3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The canonical SMILES for (3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol is CC1=CC(C)CC(C(O)c2cncc(OC(C)C)c2)C1.
What is the InChIKey of (3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The InChIKey is GVJPYJLZRQPVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11(2)20-16-8-15(9-18-10-16)17(19)14-6-12(3)5-13(4)7-14/h5,8-12,14,17,19H,6-7H2,1-4H3.
What are the key properties of (3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol has a molecular weight of 275.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol is sourced from PubChem (CID 103277657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).