2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol

C15H13F2NO2 — CID 135843252

IUPAC2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol
SMILESCCOc1ccc(/C=N/c2ccc(F)c(F)c2)c(O)c1
InChIInChI=1S/C15H13F2NO2/c1-2-20-12-5-3-10(15(19)8-12)9-18-11-4-6-13(16)14(17)7-11/h3-9,19H,2H2,1H3/b18-9+
InChIKeyVODBALWQPNYCJB-GIJQJNRQSA-N
MW277.27 g/mol
LogP3.82
Rot. Bonds4

About 2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol

2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol (PubChem CID 135843252) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol
PubChem CID135843252
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol
SMILESCCOc1ccc(/C=N/c2ccc(F)c(F)c2)c(O)c1
InChIInChI=1S/C15H13F2NO2/c1-2-20-12-5-3-10(15(19)8-12)9-18-11-4-6-13(16)14(17)7-11/h3-9,19H,2H2,1H3/b18-9+
InChIKeyVODBALWQPNYCJB-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-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol
CID 135720913
5-ethoxy-2-[(3-iodophenyl)iminomethyl]phenol
CID 135704199
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol
CID 3427479
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
2-[(4-hexoxyphenyl)iminomethyl]-5-octoxyphenol
CID 136805582
2-[[4-[11-[4-[(2-hydroxy-4-octoxyphenyl)methylideneamino]phenoxy]undecoxy]phenyl]iminomethyl]-5-octoxyphenol
CID 136872509
2-[(4-octoxyphenyl)iminomethyl]-5-pentoxyphenol
CID 136805594
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol
CID 136903559
5-decoxy-2-[(3,4-didecoxyphenyl)iminomethyl]phenol
CID 136801601

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol?
The IUPAC name of 2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol (CID 135843252) is 2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol.
What is the SMILES notation for 2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol?
The canonical SMILES for 2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol is CCOc1ccc(/C=N/c2ccc(F)c(F)c2)c(O)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol?
The InChIKey is VODBALWQPNYCJB-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-2-20-12-5-3-10(15(19)8-12)9-18-11-4-6-13(16)14(17)7-11/h3-9,19H,2H2,1H3/b18-9+.
What are the key properties of 2-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol?
2-[(3,4-difluorophenyl)iminomethyl]-5-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-[(3,4-difluorophenyl)iminomethyl]-5-ethoxyphenol is sourced from PubChem (CID 135843252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).