2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol

C15H13F2NO2 — CID 135595380

IUPAC2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/c2ccc(F)cc2F)c1O
InChIInChI=1S/C15H13F2NO2/c1-2-20-14-5-3-4-10(15(14)19)9-18-13-7-6-11(16)8-12(13)17/h3-9,19H,2H2,1H3/b18-9+
InChIKeyPWCAUNURVKGWQE-GIJQJNRQSA-N
MW277.27 g/mol
LogP3.82
Rot. Bonds4

About 2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol

2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol (PubChem CID 135595380) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol
PubChem CID135595380
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/c2ccc(F)cc2F)c1O
InChIInChI=1S/C15H13F2NO2/c1-2-20-14-5-3-4-10(15(14)19)9-18-13-7-6-11(16)8-12(13)17/h3-9,19H,2H2,1H3/b18-9+
InChIKeyPWCAUNURVKGWQE-GIJQJNRQSA-N
XLogP3.82
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-5-fluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135657485
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453
2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
CID 135657460
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135657486
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-[(4-fluoro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135596113
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol
CID 3465274
2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol
CID 135657510

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol?
The IUPAC name of 2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol (CID 135595380) is 2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol is CCOc1cccc(/C=N/c2ccc(F)cc2F)c1O.
What is the InChIKey of 2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol?
The InChIKey is PWCAUNURVKGWQE-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-2-20-14-5-3-4-10(15(14)19)9-18-13-7-6-11(16)8-12(13)17/h3-9,19H,2H2,1H3/b18-9+.
What are the key properties of 2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol?
2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol has a molecular weight of 277.27 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol is sourced from PubChem (CID 135595380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).