2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol

C21H18N2O — CID 102113609

IUPAC2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol
SMILESCc1cc(-n2nc3ccccc3c2-c2ccccc2)cc(C)c1O
InChIInChI=1S/C21H18N2O/c1-14-12-17(13-15(2)21(14)24)23-20(16-8-4-3-5-9-16)18-10-6-7-11-19(18)22-23/h3-13,24H,1-2H3
InChIKeyZUHTWUHGCPRUIN-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.01
Rot. Bonds2

About 2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol

2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol (PubChem CID 102113609) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol
PubChem CID102113609
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol
SMILESCc1cc(-n2nc3ccccc3c2-c2ccccc2)cc(C)c1O
InChIInChI=1S/C21H18N2O/c1-14-12-17(13-15(2)21(14)24)23-20(16-8-4-3-5-9-16)18-10-6-7-11-19(18)22-23/h3-13,24H,1-2H3
InChIKeyZUHTWUHGCPRUIN-UHFFFAOYSA-N
XLogP5.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(4-methylphenyl)-3-phenylindazole
CID 177414447
2-(3-ethylphenyl)-3-phenylindazole
CID 169225849
3-(4-chlorophenyl)-2-(4-methylphenyl)indazole
CID 102171716
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
4-[3-(4-hydroxy-3,5-dimethylphenyl)phenyl]-2,6-dimethylphenol
CID 21020641
2-(2-hydroxyphenyl)indazole-3-carboxylic acid
CID 162134883
2-[1-(3,4-dimethylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
CID 20542757
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3859853
1-(3,4-dimethylphenyl)-3-phenylpyrazole
CID 135064908
(4-methyl-1,5-diphenylpyrazol-3-yl)methanol
CID 22832035
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol
CID 160974231

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol?
The IUPAC name of 2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol (CID 102113609) is 2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol.
What is the SMILES notation for 2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol?
The canonical SMILES for 2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol is Cc1cc(-n2nc3ccccc3c2-c2ccccc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol?
The InChIKey is ZUHTWUHGCPRUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14-12-17(13-15(2)21(14)24)23-20(16-8-4-3-5-9-16)18-10-6-7-11-19(18)22-23/h3-13,24H,1-2H3.
What are the key properties of 2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol?
2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol has a molecular weight of 314.39 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol is sourced from PubChem (CID 102113609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).