2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol

C15H12F4N2O2 — CID 135613721

IUPAC2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2c(F)c(F)cc(F)c2F)ccc1O
InChIInChI=1S/C15H12F4N2O2/c1-2-23-12-5-8(3-4-11(12)22)7-20-21-15-13(18)9(16)6-10(17)14(15)19/h3-7,21-22H,2H2,1H3/b20-7+
InChIKeyBLJHCYRKGWGNHC-IFRROFPPSA-N
MW328.27 g/mol
LogP3.79
Rot. Bonds5

About 2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol

2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135613721) has the molecular formula C15H12F4N2O2 and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol
PubChem CID135613721
Molecular FormulaC15H12F4N2O2
Molecular Weight328.27 g/mol
Exact Mass328.08
IUPAC Name2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2c(F)c(F)cc(F)c2F)ccc1O
InChIInChI=1S/C15H12F4N2O2/c1-2-23-12-5-8(3-4-11(12)22)7-20-21-15-13(18)9(16)6-10(17)14(15)19/h3-7,21-22H,2H2,1H3/b20-7+
InChIKeyBLJHCYRKGWGNHC-IFRROFPPSA-N
XLogP3.79
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 4012909
4-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 4288655
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135675775
2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135620435
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135676115
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135576630
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3407751
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 773930
2-ethoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136704774
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol (CID 135613721) is 2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol is CCOc1cc(/C=N/Nc2c(F)c(F)cc(F)c2F)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is BLJHCYRKGWGNHC-IFRROFPPSA-N. The full InChI is InChI=1S/C15H12F4N2O2/c1-2-23-12-5-8(3-4-11(12)22)7-20-21-15-13(18)9(16)6-10(17)14(15)19/h3-7,21-22H,2H2,1H3/b20-7+.
What are the key properties of 2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol?
2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 328.27 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135613721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).