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

C16H25NO3 — CID 103560077

IUPAC1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol
SMILESCOc1c(C)cnc(CC(O)CC2(OC)CCC2)c1C
InChIInChI=1S/C16H25NO3/c1-11-10-17-14(12(2)15(11)19-3)8-13(18)9-16(20-4)6-5-7-16/h10,13,18H,5-9H2,1-4H3
InChIKeyHZXKKBAXAAQEBV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.57
Rot. Bonds6

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

1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol (PubChem CID 103560077) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol
PubChem CID103560077
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol
SMILESCOc1c(C)cnc(CC(O)CC2(OC)CCC2)c1C
InChIInChI=1S/C16H25NO3/c1-11-10-17-14(12(2)15(11)19-3)8-13(18)9-16(20-4)6-5-7-16/h10,13,18H,5-9H2,1-4H3
InChIKeyHZXKKBAXAAQEBV-UHFFFAOYSA-N
XLogP2.57
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[1-hydroxy-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]cyclopentan-1-ol
CID 103448486
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-ol
CID 116660006
1-(1-methoxycyclopentyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 104610582
5-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-ol
CID 105088777
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol
CID 115788139
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 65142759
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-phenylbutan-2-ol
CID 62608610
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]propane-1,2-diol
CID 79682772
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine
CID 55095222

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol (CID 103560077) is 1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol is COc1c(C)cnc(CC(O)CC2(OC)CCC2)c1C.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol?
The InChIKey is HZXKKBAXAAQEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-10-17-14(12(2)15(11)19-3)8-13(18)9-16(20-4)6-5-7-16/h10,13,18H,5-9H2,1-4H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol?
1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 103560077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).