2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol

C17H18FNO2 — CID 135657510

IUPAC2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol
SMILESCCOc1cccc(/C=N/C(C)c2ccc(F)cc2)c1O
InChIInChI=1S/C17H18FNO2/c1-3-21-16-6-4-5-14(17(16)20)11-19-12(2)13-7-9-15(18)10-8-13/h4-12,20H,3H2,1-2H3/b19-11+
InChIKeyRDGUVZIXSMZCOT-YBFXNURJSA-N
MW287.33 g/mol
LogP4.11
Rot. Bonds5

About 2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol

2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol (PubChem CID 135657510) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol
PubChem CID135657510
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol
SMILESCCOc1cccc(/C=N/C(C)c2ccc(F)cc2)c1O
InChIInChI=1S/C17H18FNO2/c1-3-21-16-6-4-5-14(17(16)20)11-19-12(2)13-7-9-15(18)10-8-13/h4-12,20H,3H2,1-2H3/b19-11+
InChIKeyRDGUVZIXSMZCOT-YBFXNURJSA-N
XLogP4.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.11
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-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135657449
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135595380
2-[(2-chloro-5-fluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135657485
2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 139177834
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 135647683
(5S)-3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 135852536
2-[[(2R)-2-(dimethylamino)-2-phenylethyl]iminomethyl]-6-ethoxyphenol
CID 135595845

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol (CID 135657510) is 2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol is CCOc1cccc(/C=N/C(C)c2ccc(F)cc2)c1O.
What is the InChIKey of 2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol?
The InChIKey is RDGUVZIXSMZCOT-YBFXNURJSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-21-16-6-4-5-14(17(16)20)11-19-12(2)13-7-9-15(18)10-8-13/h4-12,20H,3H2,1-2H3/b19-11+.
What are the key properties of 2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol?
2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol has a molecular weight of 287.33 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[1-(4-fluorophenyl)ethyliminomethyl]phenol is sourced from PubChem (CID 135657510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).