1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol

C16H19NO3 — CID 66460933

IUPAC1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol
SMILESCOc1cccc(C(O)Cc2ccc(C)cn2)c1OC
InChIInChI=1S/C16H19NO3/c1-11-7-8-12(17-10-11)9-14(18)13-5-4-6-15(19-2)16(13)20-3/h4-8,10,14,18H,9H2,1-3H3
InChIKeyMEGUHPLSHMAXCM-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.68
Rot. Bonds5

About 1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol

1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol (PubChem CID 66460933) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol
PubChem CID66460933
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol
SMILESCOc1cccc(C(O)Cc2ccc(C)cn2)c1OC
InChIInChI=1S/C16H19NO3/c1-11-7-8-12(17-10-11)9-14(18)13-5-4-6-15(19-2)16(13)20-3/h4-8,10,14,18H,9H2,1-3H3
InChIKeyMEGUHPLSHMAXCM-UHFFFAOYSA-N
XLogP2.68
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461531
1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 114024113
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol
CID 104801826
2-(5-methyl-2-pyridinyl)-1-naphthalen-1-ylethanamine
CID 66446913
1-(2-methoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708293
1-(2-methoxyphenyl)-2-(4-methylphenyl)ethanol
CID 15638774
1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045875
1-(2,3-dimethoxyphenyl)-2-ethoxyethanol
CID 79567811
1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65151048
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 680857
1-(2,3-dimethoxyphenyl)-2-propoxyethanol
CID 79567810

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol (CID 66460933) is 1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol is COc1cccc(C(O)Cc2ccc(C)cn2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol?
The InChIKey is MEGUHPLSHMAXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-7-8-12(17-10-11)9-14(18)13-5-4-6-15(19-2)16(13)20-3/h4-8,10,14,18H,9H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol?
1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol has a molecular weight of 273.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-2-(5-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 66460933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).