1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol

C18H23NO2 — CID 65146629

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol
SMILESCCC(O)(Cc1ncc(C)c(OC)c1C)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-5-18(20,15-9-7-6-8-10-15)11-16-14(3)17(21-4)13(2)12-19-16/h6-10,12,20H,5,11H2,1-4H3
InChIKeyRKZFXIGYMQAPEI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol (PubChem CID 65146629) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol
PubChem CID65146629
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol
SMILESCCC(O)(Cc1ncc(C)c(OC)c1C)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-5-18(20,15-9-7-6-8-10-15)11-16-14(3)17(21-4)13(2)12-19-16/h6-10,12,20H,5,11H2,1-4H3
InChIKeyRKZFXIGYMQAPEI-UHFFFAOYSA-N
XLogP3.55
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
3,5-Dimethyl-2-hydroxymethyl-4-methoxy-pyridine
CID 737823
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
alpha-(4-Methoxyphenyl)-2-pyridinemethanol
CID 99004
4''-(6-Methoxypyridin-3-yl)biphenyl-3-ol
CID 46887511
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
3-(4-Methoxybenzylidene)anabaseine
CID 11601561
3-(3-Methoxybenzylidene)anabaseine
CID 11637689
2-[3-(Pyridin-2-ylmethoxy)phenyl]heptan-2-ol
CID 14349154
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71554709
Pyridine, 2-(2-(4-methoxyphenyl)ethenyl)-, trans-
CID 5375966

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol (CID 65146629) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol is CCC(O)(Cc1ncc(C)c(OC)c1C)c1ccccc1.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol?
The InChIKey is RKZFXIGYMQAPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-18(20,15-9-7-6-8-10-15)11-16-14(3)17(21-4)13(2)12-19-16/h6-10,12,20H,5,11H2,1-4H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-phenylbutan-2-ol is sourced from PubChem (CID 65146629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).