(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol

C15H19NO3 — CID 115829129

IUPAC(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2cc(C)oc2C)c1
InChIInChI=1S/C15H19NO3/c1-4-5-18-13-7-12(8-16-9-13)15(17)14-6-10(2)19-11(14)3/h6-9,15,17H,4-5H2,1-3H3
InChIKeySPVANCRHTLUNCU-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.16
Rot. Bonds5

About (2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol

(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol (PubChem CID 115829129) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
PubChem CID115829129
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol
SMILESCCCOc1cncc(C(O)c2cc(C)oc2C)c1
InChIInChI=1S/C15H19NO3/c1-4-5-18-13-7-12(8-16-9-13)15(17)14-6-10(2)19-11(14)3/h6-9,15,17H,4-5H2,1-3H3
InChIKeySPVANCRHTLUNCU-UHFFFAOYSA-N
XLogP3.16
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol
CID 115827884
(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829147
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829191
(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829228
(3-chloro-4-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanol
CID 103408210
2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103449515
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol
CID 115829169
4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol
CID 105121586
3-(3-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol
CID 105121600
N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine
CID 104790228
(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
CID 62919680

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol (CID 115829129) is (2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol is CCCOc1cncc(C(O)c2cc(C)oc2C)c1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol?
The InChIKey is SPVANCRHTLUNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-5-18-13-7-12(8-16-9-13)15(17)14-6-10(2)19-11(14)3/h6-9,15,17H,4-5H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol?
(2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol has a molecular weight of 261.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(5-propoxy-3-pyridinyl)methanol is sourced from PubChem (CID 115829129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).