2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol

C17H16N2O2 — CID 160974231

IUPAC2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol
SMILESCOc1cc(-c2ccn(-c3ccccc3)n2)cc(C)c1O
InChIInChI=1S/C17H16N2O2/c1-12-10-13(11-16(21-2)17(12)20)15-8-9-19(18-15)14-6-4-3-5-7-14/h3-11,20H,1-2H3
InChIKeySYQOXXSJWRCNIG-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds3

About 2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol

2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol (PubChem CID 160974231) 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-3-yl)phenol.

Molecular Properties

Compound Name2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol
PubChem CID160974231
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol
SMILESCOc1cc(-c2ccn(-c3ccccc3)n2)cc(C)c1O
InChIInChI=1S/C17H16N2O2/c1-12-10-13(11-16(21-2)17(12)20)15-8-9-19(18-15)14-6-4-3-5-7-14/h3-11,20H,1-2H3
InChIKeySYQOXXSJWRCNIG-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-4-yl)phenol
CID 162125121
1-(3,4-dimethylphenyl)-3-phenylpyrazole
CID 135064908
4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol
CID 838874
5-methyl-1-phenyl-3-(1-phenylpyrazol-3-yl)pyrazol-4-amine
CID 69227264
5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine
CID 129142491
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
1-phenyl-3-[3-[(Z)-4-[3-(1-phenylpyrazol-3-yl)phenyl]but-2-enyl]phenyl]pyrazole
CID 137490016
1,3-bis(4-methylphenyl)pyrazole
CID 163429464
6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
CID 56850592
1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole
CID 150987741
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 883556
3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid
CID 58156745

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol?
The IUPAC name of 2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol (CID 160974231) is 2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol.
What is the SMILES notation for 2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol?
The canonical SMILES for 2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol is COc1cc(-c2ccn(-c3ccccc3)n2)cc(C)c1O.
What is the InChIKey of 2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol?
The InChIKey is SYQOXXSJWRCNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-10-13(11-16(21-2)17(12)20)15-8-9-19(18-15)14-6-4-3-5-7-14/h3-11,20H,1-2H3.
What are the key properties of 2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol?
2-methoxy-6-methyl-4-(1-phenylpyrazol-3-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-3-yl)phenol is sourced from PubChem (CID 160974231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).