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

C17H21NO2 — CID 62606511

IUPAC2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2cccc(C)c2)c1C
InChIInChI=1S/C17H21NO2/c1-11-6-5-7-14(8-11)16(19)9-15-13(3)17(20-4)12(2)10-18-15/h5-8,10,16,19H,9H2,1-4H3
InChIKeySDKGAZPWZRZXBN-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.29
Rot. Bonds4

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

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol (PubChem CID 62606511) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol
PubChem CID62606511
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol
SMILESCOc1c(C)cnc(CC(O)c2cccc(C)c2)c1C
InChIInChI=1S/C17H21NO2/c1-11-6-5-7-14(8-11)16(19)9-15-13(3)17(20-4)12(2)10-18-15/h5-8,10,16,19H,9H2,1-4H3
InChIKeySDKGAZPWZRZXBN-UHFFFAOYSA-N
XLogP3.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.29
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-methylphenyl)ethanol?
The IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol (CID 62606511) is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol is COc1c(C)cnc(CC(O)c2cccc(C)c2)c1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol?
The InChIKey is SDKGAZPWZRZXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-6-5-7-14(8-11)16(19)9-15-13(3)17(20-4)12(2)10-18-15/h5-8,10,16,19H,9H2,1-4H3.
What are the key properties of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol?
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol has a molecular weight of 271.36 g/mol, XLogP of 3.29, 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-methylphenyl)ethanol is sourced from PubChem (CID 62606511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).