2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol

C17H16N2O2 — CID 162125121

IUPAC2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol
SMILESCOc1cc(-c2cnn(-c3ccccc3)c2)cc(C)c1O
InChIInChI=1S/C17H16N2O2/c1-12-8-13(9-16(21-2)17(12)20)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-11,20H,1-2H3
InChIKeyZHXNAMSRPFCFSS-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds3

About 2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol

2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol (PubChem CID 162125121) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol
PubChem CID162125121
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol
SMILESCOc1cc(-c2cnn(-c3ccccc3)c2)cc(C)c1O
InChIInChI=1S/C17H16N2O2/c1-12-8-13(9-16(21-2)17(12)20)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-11,20H,1-2H3
InChIKeyZHXNAMSRPFCFSS-UHFFFAOYSA-N
XLogP3.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol
CID 160974231
3-methoxy-2-methyl-6-[3-methyl-4-(1-phenylpyrazol-4-yl)-1,2-oxazol-5-yl]phenol
CID 2088964
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60589279
3,4-dimethoxy-5-(1-phenylpyrazol-4-yl)benzaldehyde
CID 82039924
1-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111588686
2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
CID 82039922
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
(2-methoxyphenyl) 1-phenylpyrazole-4-carboxylate
CID 46546914
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
CID 47012675
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633
1-(2-methoxyphenyl)pyrazol-4-ol
CID 117124800
1-phenyl-4-thiophen-3-ylpyrazole
CID 78210279

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol?
The IUPAC name of 2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol (CID 162125121) is 2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol?
The canonical SMILES for 2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol is COc1cc(-c2cnn(-c3ccccc3)c2)cc(C)c1O.
What is the InChIKey of 2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol?
The InChIKey is ZHXNAMSRPFCFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-8-13(9-16(21-2)17(12)20)14-10-18-19(11-14)15-6-4-3-5-7-15/h3-11,20H,1-2H3.
What are the key properties of 2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol?
2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol has a molecular weight of 280.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol is sourced from PubChem (CID 162125121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).