4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol

C17H18FNO3 — CID 136759251

IUPAC4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol
SMILESCCOc1ccc(O)c(/C=N/CC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO3/c1-2-22-15-7-8-16(20)13(9-15)10-19-11-17(21)12-3-5-14(18)6-4-12/h3-10,17,20-21H,2,11H2,1H3/b19-10+
InChIKeyPDOAQYUJGXXUIO-VXLYETTFSA-N
MW303.33 g/mol
LogP3.08
Rot. Bonds6

About 4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol

4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol (PubChem CID 136759251) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol
PubChem CID136759251
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol
SMILESCCOc1ccc(O)c(/C=N/CC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO3/c1-2-22-15-7-8-16(20)13(9-15)10-19-11-17(21)12-3-5-14(18)6-4-12/h3-10,17,20-21H,2,11H2,1H3/b19-10+
InChIKeyPDOAQYUJGXXUIO-VXLYETTFSA-N
XLogP3.08
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol
CID 136819093
4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol
CID 136819089
4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol
CID 136730298
N-[3-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]propyl]methanesulfonamide
CID 136575617
1-(4-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346759
2-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135757942
2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide
CID 136814303
4-fluoro-2-(pentyliminomethyl)phenol
CID 144549323
2-[2-[(2-hydroxy-5-icosoxyphenyl)methylideneamino]ethyliminomethyl]-4-icosoxyphenol
CID 136723269
4-chloro-2-[[2-[3-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol
CID 136826931
2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol
CID 135758257
4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenol
CID 135598202

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol?
The IUPAC name of 4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol (CID 136759251) is 4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol.
What is the SMILES notation for 4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol?
The canonical SMILES for 4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol is CCOc1ccc(O)c(/C=N/CC(O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol?
The InChIKey is PDOAQYUJGXXUIO-VXLYETTFSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-2-22-15-7-8-16(20)13(9-15)10-19-11-17(21)12-3-5-14(18)6-4-12/h3-10,17,20-21H,2,11H2,1H3/b19-10+.
What are the key properties of 4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol?
4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol has a molecular weight of 303.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol is sourced from PubChem (CID 136759251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).