2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol

C18H16N2O2 — CID 135424803

IUPAC2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol
SMILESCOc1cc(/C=C/c2cc(-c3ccccc3)n[nH]2)ccc1O
InChIInChI=1S/C18H16N2O2/c1-22-18-11-13(8-10-17(18)21)7-9-15-12-16(20-19-15)14-5-3-2-4-6-14/h2-12,21H,1H3,(H,19,20)/b9-7+
InChIKeyIULAOUUIQXUEBD-VQHVLOKHSA-N
MW292.34 g/mol
LogP3.96
Rot. Bonds4

About 2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol

2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol (PubChem CID 135424803) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol
PubChem CID135424803
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol
SMILESCOc1cc(/C=C/c2cc(-c3ccccc3)n[nH]2)ccc1O
InChIInChI=1S/C18H16N2O2/c1-22-18-11-13(8-10-17(18)21)7-9-15-12-16(20-19-15)14-5-3-2-4-6-14/h2-12,21H,1H3,(H,19,20)/b9-7+
InChIKeyIULAOUUIQXUEBD-VQHVLOKHSA-N
XLogP3.96
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cnb-001
CID 135440402
3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
Hydrazinocurcumin
CID 135494223
4-[(6,7-Dimethoxy-2,4-Dihydroindeno[1,2-C]pyrazol-3-Yl)ethynyl]-2-Methoxyphenol
CID 44443175
4-(6,7-Dimethoxy-2,4-Dihydroindeno[1,2-C]pyrazol-3-Yl)phenol
CID 135566732
2-[4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
CID 2001082
6-Amino-4-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 652676
2-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)-5-methylphenol
CID 755039
2-(5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl)phenol
CID 846291
2-[5-(4-Methoxy-phenyl)-1H-pyrazol-3-yl]-phenol
CID 3750129
4-[(E)-2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethenyl]-2-methoxyphenol
CID 135566735
4-Methoxy-6-[5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
CID 697726

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol (CID 135424803) is 2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol is COc1cc(/C=C/c2cc(-c3ccccc3)n[nH]2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol?
The InChIKey is IULAOUUIQXUEBD-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-18-11-13(8-10-17(18)21)7-9-15-12-16(20-19-15)14-5-3-2-4-6-14/h2-12,21H,1H3,(H,19,20)/b9-7+.
What are the key properties of 2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol?
2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol has a molecular weight of 292.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol is sourced from PubChem (CID 135424803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).