2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol

C14H17NO2 — CID 66461098

IUPAC2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol
SMILESCc1oc(C)c(C(O)Cc2ccncc2)c1C
InChIInChI=1S/C14H17NO2/c1-9-10(2)17-11(3)14(9)13(16)8-12-4-6-15-7-5-12/h4-7,13,16H,8H2,1-3H3
InChIKeySTAKSLAWCZFVCF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.88
Rot. Bonds3

About 2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol

2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol (PubChem CID 66461098) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol
PubChem CID66461098
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol
SMILESCc1oc(C)c(C(O)Cc2ccncc2)c1C
InChIInChI=1S/C14H17NO2/c1-9-10(2)17-11(3)14(9)13(16)8-12-4-6-15-7-5-12/h4-7,13,16H,8H2,1-3H3
InChIKeySTAKSLAWCZFVCF-UHFFFAOYSA-N
XLogP2.88
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 65152206
2-(2-chlorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 65152747
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 114981981
3-methyl-1-pyridin-4-ylbutane-2,3-diol
CID 103448896
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
[2-phenyl-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105283083
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 115813812
1-(2-iodo-3-methylphenyl)-2-pyridin-4-ylethanol
CID 114029826
1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylethanol
CID 62791168
4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine
CID 12946959

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol?
The IUPAC name of 2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol (CID 66461098) is 2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol.
What is the SMILES notation for 2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol?
The canonical SMILES for 2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol is Cc1oc(C)c(C(O)Cc2ccncc2)c1C.
What is the InChIKey of 2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol?
The InChIKey is STAKSLAWCZFVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-10(2)17-11(3)14(9)13(16)8-12-4-6-15-7-5-12/h4-7,13,16H,8H2,1-3H3.
What are the key properties of 2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol?
2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol has a molecular weight of 231.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1-(2,4,5-trimethylfuran-3-yl)ethanol is sourced from PubChem (CID 66461098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).