2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol

C18H21NO2 — CID 135699896

IUPAC2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/c2ccc(CC)cc2)c(O)c1
InChIInChI=1S/C18H21NO2/c1-3-11-21-17-10-7-15(18(20)12-17)13-19-16-8-5-14(4-2)6-9-16/h5-10,12-13,20H,3-4,11H2,1-2H3/b19-13+
InChIKeyZHOGHDXOVXQEIH-CPNJWEJPSA-N
MW283.37 g/mol
LogP4.49
Rot. Bonds6

About 2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol

2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol (PubChem CID 135699896) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
PubChem CID135699896
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/c2ccc(CC)cc2)c(O)c1
InChIInChI=1S/C18H21NO2/c1-3-11-21-17-10-7-15(18(20)12-17)13-19-16-8-5-14(4-2)6-9-16/h5-10,12-13,20H,3-4,11H2,1-2H3/b19-13+
InChIKeyZHOGHDXOVXQEIH-CPNJWEJPSA-N
XLogP4.49
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.49
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

5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
2-[(4-hexoxyphenyl)iminomethyl]-5-octoxyphenol
CID 136805582
2-[[4-[11-[4-[(2-hydroxy-4-octoxyphenyl)methylideneamino]phenoxy]undecoxy]phenyl]iminomethyl]-5-octoxyphenol
CID 136872509
2-[(4-octoxyphenyl)iminomethyl]-5-pentoxyphenol
CID 136805594
5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol
CID 4594157
2-[(4-decylphenyl)iminomethyl]-5-dodecoxyphenol
CID 136819970
2-[(4-nitrophenyl)iminomethyl]-5-propoxyphenol
CID 135609186
5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol
CID 136903559
2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol
CID 135720913
5-heptoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 136805542

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol?
The IUPAC name of 2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol (CID 135699896) is 2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol.
What is the SMILES notation for 2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol?
The canonical SMILES for 2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol is CCCOc1ccc(/C=N/c2ccc(CC)cc2)c(O)c1.
What is the InChIKey of 2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol?
The InChIKey is ZHOGHDXOVXQEIH-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-11-21-17-10-7-15(18(20)12-17)13-19-16-8-5-14(4-2)6-9-16/h5-10,12-13,20H,3-4,11H2,1-2H3/b19-13+.
What are the key properties of 2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol?
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol has a molecular weight of 283.37 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol is sourced from PubChem (CID 135699896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).