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

C17H29NO2 — CID 115788139

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol
SMILESCOc1c(C)cnc(CC(O)CC(C)C(C)(C)C)c1C
InChIInChI=1S/C17H29NO2/c1-11-10-18-15(13(3)16(11)20-7)9-14(19)8-12(2)17(4,5)6/h10,12,14,19H,8-9H2,1-7H3
InChIKeyXHMYPIDUJJVTGK-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.68
Rot. Bonds5

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

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol (PubChem CID 115788139) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol
PubChem CID115788139
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol
SMILESCOc1c(C)cnc(CC(O)CC(C)C(C)(C)C)c1C
InChIInChI=1S/C17H29NO2/c1-11-10-18-15(13(3)16(11)20-7)9-14(19)8-12(2)17(4,5)6/h10,12,14,19H,8-9H2,1-7H3
InChIKeyXHMYPIDUJJVTGK-UHFFFAOYSA-N
XLogP3.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
5-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-ol
CID 105088777
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol
CID 116660006
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139283
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]propane-1,2-diol
CID 79682772
3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol
CID 79047638
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol
CID 62608610
1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol
CID 103560077
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine
CID 55095222
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol (CID 115788139) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol is COc1c(C)cnc(CC(O)CC(C)C(C)(C)C)c1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol?
The InChIKey is XHMYPIDUJJVTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-11-10-18-15(13(3)16(11)20-7)9-14(19)8-12(2)17(4,5)6/h10,12,14,19H,8-9H2,1-7H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.68, 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)-4,5,5-trimethylhexan-2-ol is sourced from PubChem (CID 115788139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).