(5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol

C16H21NO3 — CID 115829389

IUPAC(5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2cncc(OC(C)C)c2)c1C
InChIInChI=1S/C16H21NO3/c1-9(2)19-14-6-13(7-17-8-14)16(18)15-10(3)11(4)20-12(15)5/h6-9,16,18H,1-5H3
InChIKeyZABUVFXLDOEUJV-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.47
Rot. Bonds4

About (5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol

(5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 115829389) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID115829389
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2cncc(OC(C)C)c2)c1C
InChIInChI=1S/C16H21NO3/c1-9(2)19-14-6-13(7-17-8-14)16(18)15-10(3)11(4)20-12(15)5/h6-9,16,18H,1-5H3
InChIKeyZABUVFXLDOEUJV-UHFFFAOYSA-N
XLogP3.47
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol with MolForge

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Related Compounds

(3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829366
(3-chlorothiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829414
(3-chloro-2-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103443499
2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol
CID 103547597
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829386
(3-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115827546
(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103277657
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895183
3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol
CID 115829422
2-ethoxy-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-ol
CID 116752280
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944
(4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153070

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of (5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol (CID 115829389) is (5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for (5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for (5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol is Cc1oc(C)c(C(O)c2cncc(OC(C)C)c2)c1C.
What is the InChIKey of (5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is ZABUVFXLDOEUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-9(2)19-14-6-13(7-17-8-14)16(18)15-10(3)11(4)20-12(15)5/h6-9,16,18H,1-5H3.
What are the key properties of (5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol?
(5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol has a molecular weight of 275.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 115829389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).