5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol

C20H25NO2 — CID 136740116

IUPAC5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
SMILESCCCCOc1ccc(/C=N/c2ccc(C(C)C)cc2)c(O)c1
InChIInChI=1S/C20H25NO2/c1-4-5-12-23-19-11-8-17(20(22)13-19)14-21-18-9-6-16(7-10-18)15(2)3/h6-11,13-15,22H,4-5,12H2,1-3H3/b21-14+
InChIKeyRVABZSDVGLCFRG-KGENOOAVSA-N
MW311.43 g/mol
LogP5.45
Rot. Bonds7

About 5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol

5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol (PubChem CID 136740116) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
PubChem CID136740116
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
SMILESCCCCOc1ccc(/C=N/c2ccc(C(C)C)cc2)c(O)c1
InChIInChI=1S/C20H25NO2/c1-4-5-12-23-19-11-8-17(20(22)13-19)14-21-18-9-6-16(7-10-18)15(2)3/h6-11,13-15,22H,4-5,12H2,1-3H3/b21-14+
InChIKeyRVABZSDVGLCFRG-KGENOOAVSA-N
XLogP5.45
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.45
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'}

Analyze 5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-butoxy-2-[(4-iodophenyl)iminomethyl]phenol
CID 136903559
5-heptoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 136805542
5-hexoxy-2-[(4-hexylphenyl)iminomethyl]phenol
CID 4594157
2-[(4-decylphenyl)iminomethyl]-5-dodecoxyphenol
CID 136819970
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
5-decoxy-2-[(3,4-didecoxyphenyl)iminomethyl]phenol
CID 136801601
5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol?
The IUPAC name of 5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol (CID 136740116) is 5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol.
What is the SMILES notation for 5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol?
The canonical SMILES for 5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol is CCCCOc1ccc(/C=N/c2ccc(C(C)C)cc2)c(O)c1.
What is the InChIKey of 5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol?
The InChIKey is RVABZSDVGLCFRG-KGENOOAVSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-5-12-23-19-11-8-17(20(22)13-19)14-21-18-9-6-16(7-10-18)15(2)3/h6-11,13-15,22H,4-5,12H2,1-3H3/b21-14+.
What are the key properties of 5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol?
5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol has a molecular weight of 311.43 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol is sourced from PubChem (CID 136740116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).