2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol

C16H25NO2 — CID 65401765

IUPAC2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol
SMILESCOc1c(C)cnc(CC(O)C2CCC(C)C2)c1C
InChIInChI=1S/C16H25NO2/c1-10-5-6-13(7-10)15(18)8-14-12(3)16(19-4)11(2)9-17-14/h9-10,13,15,18H,5-8H2,1-4H3
InChIKeyHVNZFFAAKAFYDM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.05
Rot. Bonds4

About 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol (PubChem CID 65401765) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol
PubChem CID65401765
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol
SMILESCOc1c(C)cnc(CC(O)C2CCC(C)C2)c1C
InChIInChI=1S/C16H25NO2/c1-10-5-6-13(7-10)15(18)8-14-12(3)16(19-4)11(2)9-17-14/h9-10,13,15,18H,5-8H2,1-4H3
InChIKeyHVNZFFAAKAFYDM-UHFFFAOYSA-N
XLogP3.05
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol?
The IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol (CID 65401765) is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol?
The canonical SMILES for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol is COc1c(C)cnc(CC(O)C2CCC(C)C2)c1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol?
The InChIKey is HVNZFFAAKAFYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-5-6-13(7-10)15(18)8-14-12(3)16(19-4)11(2)9-17-14/h9-10,13,15,18H,5-8H2,1-4H3.
What are the key properties of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol?
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol has a molecular weight of 263.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylcyclopentyl)ethanol is sourced from PubChem (CID 65401765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).