1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol

C15H17NO2 — CID 114053750

IUPAC1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol
SMILESCOc1cccnc1C(O)Cc1cccc(C)c1
InChIInChI=1S/C15H17NO2/c1-11-5-3-6-12(9-11)10-13(17)15-14(18-2)7-4-8-16-15/h3-9,13,17H,10H2,1-2H3
InChIKeyVRDGMXCJVFPUPL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.67
Rot. Bonds4

About 1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol

1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol (PubChem CID 114053750) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol
PubChem CID114053750
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol
SMILESCOc1cccnc1C(O)Cc1cccc(C)c1
InChIInChI=1S/C15H17NO2/c1-11-5-3-6-12(9-11)10-13(17)15-14(18-2)7-4-8-16-15/h3-9,13,17H,10H2,1-2H3
InChIKeyVRDGMXCJVFPUPL-UHFFFAOYSA-N
XLogP2.67
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-2-pyridinyl)-2-phenylethanol
CID 114053626
1-(3-methoxypyrazin-2-yl)-2-(3-methylphenyl)ethanol
CID 113421532
2-(4-fluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053745
2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053743
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol
CID 62389072
1-(3-methoxypyrazin-2-yl)-3-(3-methylphenyl)propan-1-ol
CID 105124030
1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 60798818
1-[2-(2-methoxyethoxy)phenyl]-2-(3-methylphenyl)ethanol
CID 104659510
2-(3-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756085
2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82729946
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 103396109
2-(3-methylphenyl)-1-(2-propoxyphenyl)ethanol
CID 104659511

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol (CID 114053750) is 1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol is COc1cccnc1C(O)Cc1cccc(C)c1.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol?
The InChIKey is VRDGMXCJVFPUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-5-3-6-12(9-11)10-13(17)15-14(18-2)7-4-8-16-15/h3-9,13,17H,10H2,1-2H3.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol?
1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol has a molecular weight of 243.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 114053750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).