4-(1-butyl-7-chloroindazol-3-yl)phenol

C17H17ClN2O — CID 135458016

IUPAC4-(1-butyl-7-chloroindazol-3-yl)phenol
SMILESCCCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c21
InChIInChI=1S/C17H17ClN2O/c1-2-3-11-20-17-14(5-4-6-15(17)18)16(19-20)12-7-9-13(21)10-8-12/h4-10,21H,2-3,11H2,1H3
InChIKeyNPAAZPFDWTWFDL-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.86
Rot. Bonds4

About 4-(1-butyl-7-chloroindazol-3-yl)phenol

4-(1-butyl-7-chloroindazol-3-yl)phenol (PubChem CID 135458016) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-(1-butyl-7-chloroindazol-3-yl)phenol.

Molecular Properties

Compound Name4-(1-butyl-7-chloroindazol-3-yl)phenol
PubChem CID135458016
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name4-(1-butyl-7-chloroindazol-3-yl)phenol
SMILESCCCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c21
InChIInChI=1S/C17H17ClN2O/c1-2-3-11-20-17-14(5-4-6-15(17)18)16(19-20)12-7-9-13(21)10-8-12/h4-10,21H,2-3,11H2,1H3
InChIKeyNPAAZPFDWTWFDL-UHFFFAOYSA-N
XLogP4.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butyl-7-chloroindazol-3-yl)phenol?
The IUPAC name of 4-(1-butyl-7-chloroindazol-3-yl)phenol (CID 135458016) is 4-(1-butyl-7-chloroindazol-3-yl)phenol.
What is the SMILES notation for 4-(1-butyl-7-chloroindazol-3-yl)phenol?
The canonical SMILES for 4-(1-butyl-7-chloroindazol-3-yl)phenol is CCCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c21.
What is the InChIKey of 4-(1-butyl-7-chloroindazol-3-yl)phenol?
The InChIKey is NPAAZPFDWTWFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-2-3-11-20-17-14(5-4-6-15(17)18)16(19-20)12-7-9-13(21)10-8-12/h4-10,21H,2-3,11H2,1H3.
What are the key properties of 4-(1-butyl-7-chloroindazol-3-yl)phenol?
4-(1-butyl-7-chloroindazol-3-yl)phenol has a molecular weight of 300.79 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butyl-7-chloroindazol-3-yl)phenol is sourced from PubChem (CID 135458016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).