1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol

C13H19NO2 — CID 104822985

IUPAC1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCc1ccc(C(O)CCC2CCCO2)cn1
InChIInChI=1S/C13H19NO2/c1-10-4-5-11(9-14-10)13(15)7-6-12-3-2-8-16-12/h4-5,9,12-13,15H,2-3,6-8H2,1H3
InChIKeyRJGSYKXDWQPDNX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.38
Rot. Bonds4

About 1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol

1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 104822985) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID104822985
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCc1ccc(C(O)CCC2CCCO2)cn1
InChIInChI=1S/C13H19NO2/c1-10-4-5-11(9-14-10)13(15)7-6-12-3-2-8-16-12/h4-5,9,12-13,15H,2-3,6-8H2,1H3
InChIKeyRJGSYKXDWQPDNX-UHFFFAOYSA-N
XLogP2.38
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 106756236
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 65162391
1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160664
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65158240
1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 66461132
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
1-(3-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167485
[1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105253010
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161657

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol (CID 104822985) is 1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol is Cc1ccc(C(O)CCC2CCCO2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is RJGSYKXDWQPDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-4-5-11(9-14-10)13(15)7-6-12-3-2-8-16-12/h4-5,9,12-13,15H,2-3,6-8H2,1H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol?
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 104822985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).