5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol

C25H35NO2 — CID 4594157

IUPAC5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol
SMILESCCCCCCOc1ccc(/C=N/c2ccc(CCCCCC)cc2)c(O)c1
InChIInChI=1S/C25H35NO2/c1-3-5-7-9-11-21-12-15-23(16-13-21)26-20-22-14-17-24(19-25(22)27)28-18-10-8-6-4-2/h12-17,19-20,27H,3-11,18H2,1-2H3/b26-20+
InChIKeySRDBXBLEAALBRE-LHLOQNFPSA-N
MW381.56 g/mol
LogP7.22
Rot. Bonds13

About 5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol

5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol (PubChem CID 4594157) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is 5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol
PubChem CID4594157
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol
SMILESCCCCCCOc1ccc(/C=N/c2ccc(CCCCCC)cc2)c(O)c1
InChIInChI=1S/C25H35NO2/c1-3-5-7-9-11-21-12-15-23(16-13-21)26-20-22-14-17-24(19-25(22)27)28-18-10-8-6-4-2/h12-17,19-20,27H,3-11,18H2,1-2H3/b26-20+
InChIKeySRDBXBLEAALBRE-LHLOQNFPSA-N
XLogP7.22
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-decylphenyl)iminomethyl]-5-dodecoxyphenol
CID 136819970
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-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
5-heptoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 136805542
5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
5-decoxy-2-[(3,4-didecoxyphenyl)iminomethyl]phenol
CID 136801601
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol
CID 136903559
5-[4-[(4-dodecoxy-2-hydroxyphenyl)methylideneamino]benzoyl]oxypentyl 4-[(4-dodecoxy-2-hydroxyphenyl)methylideneamino]benzoate
CID 136912163

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol?
The IUPAC name of 5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol (CID 4594157) is 5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol.
What is the SMILES notation for 5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol?
The canonical SMILES for 5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol is CCCCCCOc1ccc(/C=N/c2ccc(CCCCCC)cc2)c(O)c1.
What is the InChIKey of 5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol?
The InChIKey is SRDBXBLEAALBRE-LHLOQNFPSA-N. The full InChI is InChI=1S/C25H35NO2/c1-3-5-7-9-11-21-12-15-23(16-13-21)26-20-22-14-17-24(19-25(22)27)28-18-10-8-6-4-2/h12-17,19-20,27H,3-11,18H2,1-2H3/b26-20+.
What are the key properties of 5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol?
5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol has a molecular weight of 381.56 g/mol, XLogP of 7.22, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol is sourced from PubChem (CID 4594157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).