[2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol

C19H15FN2O2 — CID 141023865

IUPAC[2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol
SMILESOCc1ccoc1-c1nn(Cc2ccccc2)c2cc(F)ccc12
InChIInChI=1S/C19H15FN2O2/c20-15-6-7-16-17(10-15)22(11-13-4-2-1-3-5-13)21-18(16)19-14(12-23)8-9-24-19/h1-10,23H,11-12H2
InChIKeyWSBUFHWHYZQJEQ-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.98
Rot. Bonds4

About [2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol

[2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol (PubChem CID 141023865) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is [2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol.

Molecular Properties

Compound Name[2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol
PubChem CID141023865
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name[2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol
SMILESOCc1ccoc1-c1nn(Cc2ccccc2)c2cc(F)ccc12
InChIInChI=1S/C19H15FN2O2/c20-15-6-7-16-17(10-15)22(11-13-4-2-1-3-5-13)21-18(16)19-14(12-23)8-9-24-19/h1-10,23H,11-12H2
InChIKeyWSBUFHWHYZQJEQ-UHFFFAOYSA-N
XLogP3.98
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol?
The IUPAC name of [2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol (CID 141023865) is [2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol.
What is the SMILES notation for [2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol?
The canonical SMILES for [2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol is OCc1ccoc1-c1nn(Cc2ccccc2)c2cc(F)ccc12.
What is the InChIKey of [2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol?
The InChIKey is WSBUFHWHYZQJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-15-6-7-16-17(10-15)22(11-13-4-2-1-3-5-13)21-18(16)19-14(12-23)8-9-24-19/h1-10,23H,11-12H2.
What are the key properties of [2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol?
[2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol has a molecular weight of 322.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol is sourced from PubChem (CID 141023865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).