4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol

C14H10Br2N2O2 — CID 135573487

IUPAC4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C14H10Br2N2O2/c15-11-1-3-13(19)9(5-11)7-17-18-8-10-6-12(16)2-4-14(10)20/h1-8,19-20H/b17-7+,18-8+
InChIKeyLEEGNGSQQIHNKM-ZEELXFFVSA-N
MW398.05 g/mol
LogP4.08
Rot. Bonds3

About 4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol

4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol (PubChem CID 135573487) has the molecular formula C14H10Br2N2O2 and a molecular weight of 398.05 g/mol. Its IUPAC name is 4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
PubChem CID135573487
Molecular FormulaC14H10Br2N2O2
Molecular Weight398.05 g/mol
Exact Mass395.91
IUPAC Name4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C14H10Br2N2O2/c15-11-1-3-13(19)9(5-11)7-17-18-8-10-6-12(16)2-4-14(10)20/h1-8,19-20H/b17-7+,18-8+
InChIKeyLEEGNGSQQIHNKM-ZEELXFFVSA-N
XLogP4.08
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.05
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol (CID 135573487) is 4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol is Oc1ccc(Br)cc1/C=N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The InChIKey is LEEGNGSQQIHNKM-ZEELXFFVSA-N. The full InChI is InChI=1S/C14H10Br2N2O2/c15-11-1-3-13(19)9(5-11)7-17-18-8-10-6-12(16)2-4-14(10)20/h1-8,19-20H/b17-7+,18-8+.
What are the key properties of 4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol has a molecular weight of 398.05 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 135573487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).