2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol

C18H26N2O — CID 135964980

IUPAC2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol
SMILESCn1nccc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H26N2O/c1-17(2,3)13-10-12(15-8-9-19-20(15)7)11-14(16(13)21)18(4,5)6/h8-11,21H,1-7H3
InChIKeyMPQUSZMNHHEYEN-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.39
Rot. Bonds1

About 2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol

2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol (PubChem CID 135964980) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol
PubChem CID135964980
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol
SMILESCn1nccc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H26N2O/c1-17(2,3)13-10-12(15-8-9-19-20(15)7)11-14(16(13)21)18(4,5)6/h8-11,21H,1-7H3
InChIKeyMPQUSZMNHHEYEN-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
5-(3,4-dichlorophenyl)-1-methylpyrazole
CID 71232464
3-chloro-5-(2-methylpyrazol-3-yl)pyridine
CID 140655904
3-(2-methylpyrazol-3-yl)benzoate
CID 42556015
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093
4-(2-methylpyrazol-3-yl)benzene-1,2-diamine
CID 91618945
4-tert-butyl-2-(2-methylpyrazol-3-yl)aniline
CID 135331486
2,4-difluoro-6-(2-methylpyrazol-3-yl)phenol
CID 2804884
2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694939
2,6-ditert-butyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694940
5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136968336
2,6-ditert-butyl-4-(1-propylpyrazol-3-yl)phenol
CID 135997365

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol (CID 135964980) is 2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol is Cn1nccc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol?
The InChIKey is MPQUSZMNHHEYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2,3)13-10-12(15-8-9-19-20(15)7)11-14(16(13)21)18(4,5)6/h8-11,21H,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol?
2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol has a molecular weight of 286.42 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol is sourced from PubChem (CID 135964980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).