4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol

C20H14ClFN2O — CID 135489142

IUPAC4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol
SMILESOc1ccc(-c2nn(Cc3ccccc3)c3cc(Cl)c(F)cc23)cc1
InChIInChI=1S/C20H14ClFN2O/c21-17-11-19-16(10-18(17)22)20(14-6-8-15(25)9-7-14)23-24(19)12-13-4-2-1-3-5-13/h1-11,25H,12H2
InChIKeyZNKJDTVCVULPNH-UHFFFAOYSA-N
MW352.80 g/mol
LogP5.25
Rot. Bonds3

About 4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol

4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol (PubChem CID 135489142) has the molecular formula C20H14ClFN2O and a molecular weight of 352.80 g/mol. Its IUPAC name is 4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol.

Molecular Properties

Compound Name4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol
PubChem CID135489142
Molecular FormulaC20H14ClFN2O
Molecular Weight352.80 g/mol
Exact Mass352.08
IUPAC Name4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol
SMILESOc1ccc(-c2nn(Cc3ccccc3)c3cc(Cl)c(F)cc23)cc1
InChIInChI=1S/C20H14ClFN2O/c21-17-11-19-16(10-18(17)22)20(14-6-8-15(25)9-7-14)23-24(19)12-13-4-2-1-3-5-13/h1-11,25H,12H2
InChIKeyZNKJDTVCVULPNH-UHFFFAOYSA-N
XLogP5.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.80
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-chloro-1-propyl-1H-indazol-3-yl)phenol
CID 135407148
4-(1-butyl-7-chloro-1H-indazol-3-yl)phenol
CID 135458016
Phenol, 4-(7-chloro-1-cyclopentyl-1H-indazol-3-yl)-
CID 135476471
4-(1-benzyl-7-chloro-1H-indazol-3-yl)phenol
CID 135503667
Phenol, 4-(7-methyl-1-propyl-1H-indazol-3-yl)-
CID 135511848
4-(1-cyclopentyl-7-fluoro-1H-indazol-3-yl)phenol
CID 135524867
4-(7-chloro-1-cyclohexyl-1H-indazol-3-yl)phenol
CID 135525228
4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135428120
4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135433989
4-[7-chloro-1-(2-hydroxyethyl)-1H-indazol-3-yl]phenol
CID 135494500
4-[1-(3-chlorophenyl)-6-hydroxy-1H-indazol-3-yl]benzene-1,3-diol
CID 135500018
4-(4-Chloro-phenyl)-7-methoxy-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25102508

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol?
The IUPAC name of 4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol (CID 135489142) is 4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol.
What is the SMILES notation for 4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol?
The canonical SMILES for 4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol is Oc1ccc(-c2nn(Cc3ccccc3)c3cc(Cl)c(F)cc23)cc1.
What is the InChIKey of 4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol?
The InChIKey is ZNKJDTVCVULPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O/c21-17-11-19-16(10-18(17)22)20(14-6-8-15(25)9-7-14)23-24(19)12-13-4-2-1-3-5-13/h1-11,25H,12H2.
What are the key properties of 4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol?
4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol has a molecular weight of 352.80 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-6-chloro-5-fluoroindazol-3-yl)phenol is sourced from PubChem (CID 135489142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).