5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol

C28H32N2O4 — CID 136722310

IUPAC5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
SMILESCCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCC)cc3O)cc2)c(O)c1
InChIInChI=1S/C28H32N2O4/c1-3-5-15-33-25-13-7-21(27(31)17-25)19-29-23-9-11-24(12-10-23)30-20-22-8-14-26(18-28(22)32)34-16-6-4-2/h7-14,17-20,31-32H,3-6,15-16H2,1-2H3/b29-19+,30-20+
InChIKeyYWOMONIVURCRCU-CZYCKNNWSA-N
MW460.57 g/mol
LogP6.96
Rot. Bonds12

About 5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol

5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol (PubChem CID 136722310) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
PubChem CID136722310
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
SMILESCCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCC)cc3O)cc2)c(O)c1
InChIInChI=1S/C28H32N2O4/c1-3-5-15-33-25-13-7-21(27(31)17-25)19-29-23-9-11-24(12-10-23)30-20-22-8-14-26(18-28(22)32)34-16-6-4-2/h7-14,17-20,31-32H,3-6,15-16H2,1-2H3/b29-19+,30-20+
InChIKeyYWOMONIVURCRCU-CZYCKNNWSA-N
XLogP6.96
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(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-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-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The IUPAC name of 5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol (CID 136722310) is 5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol.
What is the SMILES notation for 5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The canonical SMILES for 5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol is CCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCC)cc3O)cc2)c(O)c1.
What is the InChIKey of 5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The InChIKey is YWOMONIVURCRCU-CZYCKNNWSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-3-5-15-33-25-13-7-21(27(31)17-25)19-29-23-9-11-24(12-10-23)30-20-22-8-14-26(18-28(22)32)34-16-6-4-2/h7-14,17-20,31-32H,3-6,15-16H2,1-2H3/b29-19+,30-20+.
What are the key properties of 5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol has a molecular weight of 460.57 g/mol, XLogP of 6.96, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol is sourced from PubChem (CID 136722310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).