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

C20H15ClN2O — CID 135503667

IUPAC4-(1-benzyl-7-chloroindazol-3-yl)phenol
SMILESOc1ccc(-c2nn(Cc3ccccc3)c3c(Cl)cccc23)cc1
InChIInChI=1S/C20H15ClN2O/c21-18-8-4-7-17-19(15-9-11-16(24)12-10-15)22-23(20(17)18)13-14-5-2-1-3-6-14/h1-12,24H,13H2
InChIKeyDPRKSCQCEZRMAF-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.11
Rot. Bonds3

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

4-(1-benzyl-7-chloroindazol-3-yl)phenol (PubChem CID 135503667) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 4-(1-benzyl-7-chloroindazol-3-yl)phenol.

Molecular Properties

Compound Name4-(1-benzyl-7-chloroindazol-3-yl)phenol
PubChem CID135503667
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name4-(1-benzyl-7-chloroindazol-3-yl)phenol
SMILESOc1ccc(-c2nn(Cc3ccccc3)c3c(Cl)cccc23)cc1
InChIInChI=1S/C20H15ClN2O/c21-18-8-4-7-17-19(15-9-11-16(24)12-10-15)22-23(20(17)18)13-14-5-2-1-3-6-14/h1-12,24H,13H2
InChIKeyDPRKSCQCEZRMAF-UHFFFAOYSA-N
XLogP5.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-7-chloroindazol-3-yl)phenol?
The IUPAC name of 4-(1-benzyl-7-chloroindazol-3-yl)phenol (CID 135503667) is 4-(1-benzyl-7-chloroindazol-3-yl)phenol.
What is the SMILES notation for 4-(1-benzyl-7-chloroindazol-3-yl)phenol?
The canonical SMILES for 4-(1-benzyl-7-chloroindazol-3-yl)phenol is Oc1ccc(-c2nn(Cc3ccccc3)c3c(Cl)cccc23)cc1.
What is the InChIKey of 4-(1-benzyl-7-chloroindazol-3-yl)phenol?
The InChIKey is DPRKSCQCEZRMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c21-18-8-4-7-17-19(15-9-11-16(24)12-10-15)22-23(20(17)18)13-14-5-2-1-3-6-14/h1-12,24H,13H2.
What are the key properties of 4-(1-benzyl-7-chloroindazol-3-yl)phenol?
4-(1-benzyl-7-chloroindazol-3-yl)phenol has a molecular weight of 334.81 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-7-chloroindazol-3-yl)phenol is sourced from PubChem (CID 135503667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).