2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol

C19H28N2O2 — CID 137275774

IUPAC2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol
SMILESCOc1cc(C)cc(-c2cc(CC(C)CC(C)(C)C)[nH]n2)c1O
InChIInChI=1S/C19H28N2O2/c1-12-8-15(18(22)17(9-12)23-6)16-10-14(20-21-16)7-13(2)11-19(3,4)5/h8-10,13,22H,7,11H2,1-6H3,(H,20,21)
InChIKeyPGOJOKJTCKQUQV-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.71
Rot. Bonds5

About 2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol

2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol (PubChem CID 137275774) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol
PubChem CID137275774
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol
SMILESCOc1cc(C)cc(-c2cc(CC(C)CC(C)(C)C)[nH]n2)c1O
InChIInChI=1S/C19H28N2O2/c1-12-8-15(18(22)17(9-12)23-6)16-10-14(20-21-16)7-13(2)11-19(3,4)5/h8-10,13,22H,7,11H2,1-6H3,(H,20,21)
InChIKeyPGOJOKJTCKQUQV-UHFFFAOYSA-N
XLogP4.71
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 82121422
4-methyl-6-(2,4,4-trimethylpentyl)-1H-pyridin-2-one
CID 165082708
[3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 96669283
2-(2-hydroxy-3-methoxy-5-methylphenyl)-3,4-dimethyl-6-propan-2-ylphenol
CID 118540927
2-[4,5-dimethoxy-2-tri(propan-2-yl)silyloxyphenyl]-6-methoxy-4-methylphenol
CID 132542220
3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide
CID 60974660
2-tert-butyl-6-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylphenol
CID 132548292
2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 82489022
2-[2-hydroxy-4-(2-sulfanylpropan-2-yl)phenyl]-6-methoxy-4-methylphenol
CID 129016729
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
CID 170885808
2-ethoxy-6-methoxy-4-methylphenol
CID 125485812

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol (CID 137275774) is 2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol is COc1cc(C)cc(-c2cc(CC(C)CC(C)(C)C)[nH]n2)c1O.
What is the InChIKey of 2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is PGOJOKJTCKQUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-12-8-15(18(22)17(9-12)23-6)16-10-14(20-21-16)7-13(2)11-19(3,4)5/h8-10,13,22H,7,11H2,1-6H3,(H,20,21).
What are the key properties of 2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol?
2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 316.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 137275774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).