5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol

C17H18INO2 — CID 136903559

IUPAC5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol
SMILESCCCCOc1ccc(/C=N/c2ccc(I)cc2)c(O)c1
InChIInChI=1S/C17H18INO2/c1-2-3-10-21-16-9-4-13(17(20)11-16)12-19-15-7-5-14(18)6-8-15/h4-9,11-12,20H,2-3,10H2,1H3/b19-12+
InChIKeyMXPNKAIMHAEMAZ-XDHOZWIPSA-N
MW395.24 g/mol
LogP4.93
Rot. Bonds6

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

5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol (PubChem CID 136903559) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is 5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol
PubChem CID136903559
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC Name5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol
SMILESCCCCOc1ccc(/C=N/c2ccc(I)cc2)c(O)c1
InChIInChI=1S/C17H18INO2/c1-2-3-10-21-16-9-4-13(17(20)11-16)12-19-15-7-5-14(18)6-8-15/h4-9,11-12,20H,2-3,10H2,1H3/b19-12+
InChIKeyMXPNKAIMHAEMAZ-XDHOZWIPSA-N
XLogP4.93
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.93
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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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-heptoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 136805542
5-butoxy-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 136740116
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-iodophenyl)iminomethyl]phenol?
The IUPAC name of 5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol (CID 136903559) is 5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol.
What is the SMILES notation for 5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol?
The canonical SMILES for 5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol is CCCCOc1ccc(/C=N/c2ccc(I)cc2)c(O)c1.
What is the InChIKey of 5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol?
The InChIKey is MXPNKAIMHAEMAZ-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H18INO2/c1-2-3-10-21-16-9-4-13(17(20)11-16)12-19-15-7-5-14(18)6-8-15/h4-9,11-12,20H,2-3,10H2,1H3/b19-12+.
What are the key properties of 5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol?
5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol has a molecular weight of 395.24 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol is sourced from PubChem (CID 136903559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).