4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol

C22H26Br2N2O2 — CID 139081919

IUPAC4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/CCCCCCCC/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C22H26Br2N2O2/c23-19-7-9-21(27)17(13-19)15-25-11-5-3-1-2-4-6-12-26-16-18-14-20(24)8-10-22(18)28/h7-10,13-16,27-28H,1-6,11-12H2/b25-15+,26-16+
InChIKeyDZCOMEIZHVLCOH-RYQLWAFASA-N
MW510.27 g/mol
LogP6.50
Rot. Bonds11

About 4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol

4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol (PubChem CID 139081919) has the molecular formula C22H26Br2N2O2 and a molecular weight of 510.27 g/mol. Its IUPAC name is 4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
PubChem CID139081919
Molecular FormulaC22H26Br2N2O2
Molecular Weight510.27 g/mol
Exact Mass508.04
IUPAC Name4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/CCCCCCCC/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C22H26Br2N2O2/c23-19-7-9-21(27)17(13-19)15-25-11-5-3-1-2-4-6-12-26-16-18-14-20(24)8-10-22(18)28/h7-10,13-16,27-28H,1-6,11-12H2/b25-15+,26-16+
InChIKeyDZCOMEIZHVLCOH-RYQLWAFASA-N
XLogP6.50
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.27
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 3089504
4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol
CID 135758638
3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol
CID 177478383
4-bromo-2-(2-piperazin-1-ylethyliminomethyl)phenol
CID 135734228
4-fluoro-2-(pentyliminomethyl)phenol
CID 144549323
3-amino-5-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-1H-pyrazole-4-carbonitrile
CID 135690912
2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol
CID 139195391
4-bromo-2-(furan-2-ylmethyliminomethyl)phenol
CID 871214
4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol
CID 135657334
2-(heptyliminomethyl)-4-nitrophenol
CID 4512182

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol?
The IUPAC name of 4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol (CID 139081919) is 4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol is Oc1ccc(Br)cc1/C=N/CCCCCCCC/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol?
The InChIKey is DZCOMEIZHVLCOH-RYQLWAFASA-N. The full InChI is InChI=1S/C22H26Br2N2O2/c23-19-7-9-21(27)17(13-19)15-25-11-5-3-1-2-4-6-12-26-16-18-14-20(24)8-10-22(18)28/h7-10,13-16,27-28H,1-6,11-12H2/b25-15+,26-16+.
What are the key properties of 4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol?
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol has a molecular weight of 510.27 g/mol, XLogP of 6.50, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol is sourced from PubChem (CID 139081919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).