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

C18H23NO2 — CID 62608610

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol
SMILESCOc1c(C)cnc(CC(O)CCc2ccccc2)c1C
InChIInChI=1S/C18H23NO2/c1-13-12-19-17(14(2)18(13)21-3)11-16(20)10-9-15-7-5-4-6-8-15/h4-8,12,16,20H,9-11H2,1-3H3
InChIKeyIOWOKTYPAKYZNB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.24
Rot. Bonds6

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

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol (PubChem CID 62608610) 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)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol
PubChem CID62608610
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol
SMILESCOc1c(C)cnc(CC(O)CCc2ccccc2)c1C
InChIInChI=1S/C18H23NO2/c1-13-12-19-17(14(2)18(13)21-3)11-16(20)10-9-15-7-5-4-6-8-15/h4-8,12,16,20H,9-11H2,1-3H3
InChIKeyIOWOKTYPAKYZNB-UHFFFAOYSA-N
XLogP3.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

5-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-ol
CID 105088777
[1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylpropan-2-yl]hydrazine
CID 105195369
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111172215
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol
CID 116660006
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol
CID 115788139
1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 63085403
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine
CID 63011439
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
2-(3-bromo-2-methyl-3-phenylpropyl)-4-methoxy-3,5-dimethylpyridine
CID 104846487
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methylphenyl)ethanol
CID 62606511
benzyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-phenylpropanoate
CID 59465193
1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol
CID 103560077

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol (CID 62608610) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol is COc1c(C)cnc(CC(O)CCc2ccccc2)c1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol?
The InChIKey is IOWOKTYPAKYZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-12-19-17(14(2)18(13)21-3)11-16(20)10-9-15-7-5-4-6-8-15/h4-8,12,16,20H,9-11H2,1-3H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.24, 6 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)-4-phenylbutan-2-ol is sourced from PubChem (CID 62608610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).