4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol

C18H21NO3 — CID 136730298

IUPAC4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol
SMILESCCOc1ccc(O)c(/C=N/CCc2ccc(CO)cc2)c1
InChIInChI=1S/C18H21NO3/c1-2-22-17-7-8-18(21)16(11-17)12-19-10-9-14-3-5-15(13-20)6-4-14/h3-8,11-12,20-21H,2,9-10,13H2,1H3/b19-12+
InChIKeyBQUPTPZMKUVFKE-XDHOZWIPSA-N
MW299.37 g/mol
LogP2.94
Rot. Bonds7

About 4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol

4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol (PubChem CID 136730298) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol.

Molecular Properties

Compound Name4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol
PubChem CID136730298
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol
SMILESCCOc1ccc(O)c(/C=N/CCc2ccc(CO)cc2)c1
InChIInChI=1S/C18H21NO3/c1-2-22-17-7-8-18(21)16(11-17)12-19-10-9-14-3-5-15(13-20)6-4-14/h3-8,11-12,20-21H,2,9-10,13H2,1H3/b19-12+
InChIKeyBQUPTPZMKUVFKE-XDHOZWIPSA-N
XLogP2.94
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.94
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

N-[3-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]propyl]methanesulfonamide
CID 136575617
2-[2-[(2-hydroxy-5-icosoxyphenyl)methylideneamino]ethyliminomethyl]-4-icosoxyphenol
CID 136723269
4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol
CID 136759251
2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol
CID 136819093
2-[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137122372
2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol
CID 142265879
5-dodecoxy-2-(2-phenylethyliminomethyl)phenol
CID 139071672
2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide
CID 136814303
3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol
CID 175369176
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
2-[2-[(2-hydroxy-5-icosylphenyl)methylideneamino]ethyliminomethyl]-4-icosylphenol
CID 136835691
4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol
CID 135629562

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol?
The IUPAC name of 4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol (CID 136730298) is 4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol.
What is the SMILES notation for 4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol?
The canonical SMILES for 4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol is CCOc1ccc(O)c(/C=N/CCc2ccc(CO)cc2)c1.
What is the InChIKey of 4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol?
The InChIKey is BQUPTPZMKUVFKE-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-22-17-7-8-18(21)16(11-17)12-19-10-9-14-3-5-15(13-20)6-4-14/h3-8,11-12,20-21H,2,9-10,13H2,1H3/b19-12+.
What are the key properties of 4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol?
4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol has a molecular weight of 299.37 g/mol, XLogP of 2.94, 7 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-(hydroxymethyl)phenyl]ethyliminomethyl]phenol is sourced from PubChem (CID 136730298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).