4-(7-chloro-1-cyclohexylindazol-3-yl)phenol

C19H19ClN2O — CID 135525228

IUPAC4-(7-chloro-1-cyclohexylindazol-3-yl)phenol
SMILESOc1ccc(-c2nn(C3CCCCC3)c3c(Cl)cccc23)cc1
InChIInChI=1S/C19H19ClN2O/c20-17-8-4-7-16-18(13-9-11-15(23)12-10-13)21-22(19(16)17)14-5-2-1-3-6-14/h4,7-12,14,23H,1-3,5-6H2
InChIKeyJFMIDTYLHCPZPL-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.57
Rot. Bonds2

About 4-(7-chloro-1-cyclohexylindazol-3-yl)phenol

4-(7-chloro-1-cyclohexylindazol-3-yl)phenol (PubChem CID 135525228) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 4-(7-chloro-1-cyclohexylindazol-3-yl)phenol.

Molecular Properties

Compound Name4-(7-chloro-1-cyclohexylindazol-3-yl)phenol
PubChem CID135525228
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name4-(7-chloro-1-cyclohexylindazol-3-yl)phenol
SMILESOc1ccc(-c2nn(C3CCCCC3)c3c(Cl)cccc23)cc1
InChIInChI=1S/C19H19ClN2O/c20-17-8-4-7-16-18(13-9-11-15(23)12-10-13)21-22(19(16)17)14-5-2-1-3-6-14/h4,7-12,14,23H,1-3,5-6H2
InChIKeyJFMIDTYLHCPZPL-UHFFFAOYSA-N
XLogP5.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(7-chloro-1-cyclohexylindazol-3-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-cyclohexylindazol-3-yl)phenol?
The IUPAC name of 4-(7-chloro-1-cyclohexylindazol-3-yl)phenol (CID 135525228) is 4-(7-chloro-1-cyclohexylindazol-3-yl)phenol.
What is the SMILES notation for 4-(7-chloro-1-cyclohexylindazol-3-yl)phenol?
The canonical SMILES for 4-(7-chloro-1-cyclohexylindazol-3-yl)phenol is Oc1ccc(-c2nn(C3CCCCC3)c3c(Cl)cccc23)cc1.
What is the InChIKey of 4-(7-chloro-1-cyclohexylindazol-3-yl)phenol?
The InChIKey is JFMIDTYLHCPZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-17-8-4-7-16-18(13-9-11-15(23)12-10-13)21-22(19(16)17)14-5-2-1-3-6-14/h4,7-12,14,23H,1-3,5-6H2.
What are the key properties of 4-(7-chloro-1-cyclohexylindazol-3-yl)phenol?
4-(7-chloro-1-cyclohexylindazol-3-yl)phenol has a molecular weight of 326.83 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-cyclohexylindazol-3-yl)phenol is sourced from PubChem (CID 135525228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).