5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol

C19H23NO2 — CID 137158267

IUPAC5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
SMILESCCCOc1ccc(/C=N/c2ccc(CCC)cc2)c(O)c1
InChIInChI=1S/C19H23NO2/c1-3-5-15-6-9-17(10-7-15)20-14-16-8-11-18(13-19(16)21)22-12-4-2/h6-11,13-14,21H,3-5,12H2,1-2H3/b20-14+
InChIKeyRYXRKMHBHKDVGY-XSFVSMFZSA-N
MW297.40 g/mol
LogP4.88
Rot. Bonds7

About 5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol

5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol (PubChem CID 137158267) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
PubChem CID137158267
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
SMILESCCCOc1ccc(/C=N/c2ccc(CCC)cc2)c(O)c1
InChIInChI=1S/C19H23NO2/c1-3-5-15-6-9-17(10-7-15)20-14-16-8-11-18(13-19(16)21)22-12-4-2/h6-11,13-14,21H,3-5,12H2,1-2H3/b20-14+
InChIKeyRYXRKMHBHKDVGY-XSFVSMFZSA-N
XLogP4.88
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.88
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-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol
CID 4594157
2-[(4-decylphenyl)iminomethyl]-5-dodecoxyphenol
CID 136819970
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-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol
CID 135720913
2-[(4-hexoxyphenyl)iminomethyl]-5-octoxyphenol
CID 136805582
2-[(4-octoxyphenyl)iminomethyl]-5-pentoxyphenol
CID 136805594
2-[[4-[11-[4-[(2-hydroxy-4-octoxyphenyl)methylideneamino]phenoxy]undecoxy]phenyl]iminomethyl]-5-octoxyphenol
CID 136872509
2-[(4-nitrophenyl)iminomethyl]-5-propoxyphenol
CID 135609186
5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol
CID 136903559
5-heptoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 136805542

Frequently Asked Questions

What is the IUPAC name of 5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol?
The IUPAC name of 5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol (CID 137158267) is 5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol.
What is the SMILES notation for 5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol?
The canonical SMILES for 5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol is CCCOc1ccc(/C=N/c2ccc(CCC)cc2)c(O)c1.
What is the InChIKey of 5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol?
The InChIKey is RYXRKMHBHKDVGY-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-5-15-6-9-17(10-7-15)20-14-16-8-11-18(13-19(16)21)22-12-4-2/h6-11,13-14,21H,3-5,12H2,1-2H3/b20-14+.
What are the key properties of 5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol?
5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol has a molecular weight of 297.40 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol is sourced from PubChem (CID 137158267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).