2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol

C13H11F3N2O2 — CID 70441484

IUPAC2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol
SMILESCOc1cccc(C=Cc2cn[nH]c2C(F)(F)F)c1O
InChIInChI=1S/C13H11F3N2O2/c1-20-10-4-2-3-8(11(10)19)5-6-9-7-17-18-12(9)13(14,15)16/h2-7,19H,1H3,(H,17,18)
InChIKeyRGRPRSFVHHYAHD-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.31
Rot. Bonds3

About 2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol

2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol (PubChem CID 70441484) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol
PubChem CID70441484
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol
SMILESCOc1cccc(C=Cc2cn[nH]c2C(F)(F)F)c1O
InChIInChI=1S/C13H11F3N2O2/c1-20-10-4-2-3-8(11(10)19)5-6-9-7-17-18-12(9)13(14,15)16/h2-7,19H,1H3,(H,17,18)
InChIKeyRGRPRSFVHHYAHD-UHFFFAOYSA-N
XLogP3.31
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
4-(3-chloroprop-1-enyl)-5-(trifluoromethyl)-1H-pyrazole
CID 169477274
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol?
The IUPAC name of 2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol (CID 70441484) is 2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol.
What is the SMILES notation for 2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol?
The canonical SMILES for 2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol is COc1cccc(C=Cc2cn[nH]c2C(F)(F)F)c1O.
What is the InChIKey of 2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol?
The InChIKey is RGRPRSFVHHYAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-20-10-4-2-3-8(11(10)19)5-6-9-7-17-18-12(9)13(14,15)16/h2-7,19H,1H3,(H,17,18).
What are the key properties of 2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol?
2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol has a molecular weight of 284.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethenyl]phenol is sourced from PubChem (CID 70441484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).