2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol

C22H15FN2O3 — CID 139759538

IUPAC2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol
SMILESOc1ccccc1C=Nc1oc2ccc(F)cc2c1/N=C/c1ccccc1O
InChIInChI=1S/C22H15FN2O3/c23-16-9-10-20-17(11-16)21(24-12-14-5-1-3-7-18(14)26)22(28-20)25-13-15-6-2-4-8-19(15)27/h1-13,26-27H/b24-12+,25-13?
InChIKeyOHCDMIIMQGRRJV-CBLRSEGQSA-N
MW374.37 g/mol
LogP5.48
Rot. Bonds4

About 2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol

2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol (PubChem CID 139759538) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol
PubChem CID139759538
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol
SMILESOc1ccccc1C=Nc1oc2ccc(F)cc2c1/N=C/c1ccccc1O
InChIInChI=1S/C22H15FN2O3/c23-16-9-10-20-17(11-16)21(24-12-14-5-1-3-7-18(14)26)22(28-20)25-13-15-6-2-4-8-19(15)27/h1-13,26-27H/b24-12+,25-13?
InChIKeyOHCDMIIMQGRRJV-CBLRSEGQSA-N
XLogP5.48
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.37
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-hydroxyphenyl)methylideneamino]-5-phenyl-1-benzofuran-3-yl]iminomethyl]phenol
CID 139759541
2-[(E)-(3-piperidin-1-yl-1-benzofuran-2-yl)iminomethyl]phenol
CID 135800934
2-[(2-chloro-4-fluorophenyl)iminomethyl]phenol
CID 135595437
4-fluoro-2-[(E)-pyridin-2-yliminomethyl]phenol
CID 135908107
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
2-[(E)-fluoroiminomethyl]phenol
CID 137273576
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
2-[(2-fluoro-5-methylphenyl)iminomethyl]phenol
CID 4857118

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol?
The IUPAC name of 2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol (CID 139759538) is 2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol is Oc1ccccc1C=Nc1oc2ccc(F)cc2c1/N=C/c1ccccc1O.
What is the InChIKey of 2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol?
The InChIKey is OHCDMIIMQGRRJV-CBLRSEGQSA-N. The full InChI is InChI=1S/C22H15FN2O3/c23-16-9-10-20-17(11-16)21(24-12-14-5-1-3-7-18(14)26)22(28-20)25-13-15-6-2-4-8-19(15)27/h1-13,26-27H/b24-12+,25-13?.
What are the key properties of 2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol?
2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol has a molecular weight of 374.37 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-[(2-hydroxyphenyl)methylideneamino]-1-benzofuran-3-yl]iminomethyl]phenol is sourced from PubChem (CID 139759538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).