3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol

C15H13Br2NO3 — CID 3465274

IUPAC3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol
SMILESCCOc1cccc(/C=N/c2c(Br)cc(O)cc2Br)c1O
InChIInChI=1S/C15H13Br2NO3/c1-2-21-13-5-3-4-9(15(13)20)8-18-14-11(16)6-10(19)7-12(14)17/h3-8,19-20H,2H2,1H3/b18-8+
InChIKeyONNZVVFFEXQAEG-QGMBQPNBSA-N
MW415.08 g/mol
LogP4.77
Rot. Bonds4

About 3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol

3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol (PubChem CID 3465274) has the molecular formula C15H13Br2NO3 and a molecular weight of 415.08 g/mol. Its IUPAC name is 3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol.

Molecular Properties

Compound Name3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol
PubChem CID3465274
Molecular FormulaC15H13Br2NO3
Molecular Weight415.08 g/mol
Exact Mass412.93
IUPAC Name3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol
SMILESCCOc1cccc(/C=N/c2c(Br)cc(O)cc2Br)c1O
InChIInChI=1S/C15H13Br2NO3/c1-2-21-13-5-3-4-9(15(13)20)8-18-14-11(16)6-10(19)7-12(14)17/h3-8,19-20H,2H2,1H3/b18-8+
InChIKeyONNZVVFFEXQAEG-QGMBQPNBSA-N
XLogP4.77
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.08
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol
CID 3465269
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135515677
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
CID 135657460
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453
2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135595380
2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
CID 135774329
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135657449

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol?
The IUPAC name of 3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol (CID 3465274) is 3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol.
What is the SMILES notation for 3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol?
The canonical SMILES for 3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol is CCOc1cccc(/C=N/c2c(Br)cc(O)cc2Br)c1O.
What is the InChIKey of 3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol?
The InChIKey is ONNZVVFFEXQAEG-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13Br2NO3/c1-2-21-13-5-3-4-9(15(13)20)8-18-14-11(16)6-10(19)7-12(14)17/h3-8,19-20H,2H2,1H3/b18-8+.
What are the key properties of 3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol?
3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol has a molecular weight of 415.08 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol is sourced from PubChem (CID 3465274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).