2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol

C16H23NO3 — CID 136819093

IUPAC2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol
SMILESCCOc1ccc(O)c(/C=N/CC(O)C2CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-2-20-14-7-8-15(18)13(9-14)10-17-11-16(19)12-5-3-4-6-12/h7-10,12,16,18-19H,2-6,11H2,1H3/b17-10+
InChIKeyMXWZUBZKAVVKIS-LICLKQGHSA-N
MW277.36 g/mol
LogP2.76
Rot. Bonds6

About 2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol

2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol (PubChem CID 136819093) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol.

Molecular Properties

Compound Name2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol
PubChem CID136819093
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol
SMILESCCOc1ccc(O)c(/C=N/CC(O)C2CCCC2)c1
InChIInChI=1S/C16H23NO3/c1-2-20-14-7-8-15(18)13(9-14)10-17-11-16(19)12-5-3-4-6-12/h7-10,12,16,18-19H,2-6,11H2,1H3/b17-10+
InChIKeyMXWZUBZKAVVKIS-LICLKQGHSA-N
XLogP2.76
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.76
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

4-ethoxy-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]iminomethyl]phenol
CID 136759251
4-ethoxy-2-[2-[4-(hydroxymethyl)phenyl]ethyliminomethyl]phenol
CID 136730298
N-[3-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]propyl]methanesulfonamide
CID 136575617
2-[(5-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide
CID 136814303
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248
4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758319
[(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium
CID 135758068
2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol
CID 135758257
[(1S)-2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 135597912
2-[(2R)-azetidin-2-yl]-4-ethoxyphenol
CID 55263715
2-[2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]ethyliminomethyl]-4-[(2-methylpropan-2-yl)oxy]phenol
CID 142265879
5-ethoxy-2-(1-hydroxyethyl)phenol
CID 152793520

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol?
The IUPAC name of 2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol (CID 136819093) is 2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol.
What is the SMILES notation for 2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol?
The canonical SMILES for 2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol is CCOc1ccc(O)c(/C=N/CC(O)C2CCCC2)c1.
What is the InChIKey of 2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol?
The InChIKey is MXWZUBZKAVVKIS-LICLKQGHSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-14-7-8-15(18)13(9-14)10-17-11-16(19)12-5-3-4-6-12/h7-10,12,16,18-19H,2-6,11H2,1H3/b17-10+.
What are the key properties of 2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol?
2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol has a molecular weight of 277.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyl-2-hydroxyethyl)iminomethyl]-4-ethoxyphenol is sourced from PubChem (CID 136819093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).