2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol

C23H24BrN2O4P — CID 135890288

IUPAC2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol
SMILESCc1cccc(OP(=O)(N/N=C\c2cc(Br)ccc2O)Oc2cccc(C)c2C)c1C
InChIInChI=1S/C23H24BrN2O4P/c1-15-7-5-9-22(17(15)3)29-31(28,30-23-10-6-8-16(2)18(23)4)26-25-14-19-13-20(24)11-12-21(19)27/h5-14,27H,1-4H3,(H,26,28)/b25-14-
InChIKeyWEGOCNUQJFBTMP-QFEZKATASA-N
MW503.33 g/mol
LogP6.58
Rot. Bonds7

About 2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol

2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol (PubChem CID 135890288) has the molecular formula C23H24BrN2O4P and a molecular weight of 503.33 g/mol. Its IUPAC name is 2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol.

Molecular Properties

Compound Name2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol
PubChem CID135890288
Molecular FormulaC23H24BrN2O4P
Molecular Weight503.33 g/mol
Exact Mass502.07
IUPAC Name2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol
SMILESCc1cccc(OP(=O)(N/N=C\c2cc(Br)ccc2O)Oc2cccc(C)c2C)c1C
InChIInChI=1S/C23H24BrN2O4P/c1-15-7-5-9-22(17(15)3)29-31(28,30-23-10-6-8-16(2)18(23)4)26-25-14-19-13-20(24)11-12-21(19)27/h5-14,27H,1-4H3,(H,26,28)/b25-14-
InChIKeyWEGOCNUQJFBTMP-QFEZKATASA-N
XLogP6.58
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.33
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 137203260
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
N-[(E)-[5-[(3-bromophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135590282
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 913575
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135884295
2-[[bis(3-methoxyphenoxy)phosphorylhydrazinylidene]methyl]phenol
CID 4241935
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136815793
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 3423079
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-hydroxyphenoxy)acetamide
CID 136732387
(2R)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanamide
CID 137051359
2-(2,3-dimethylphenoxy)-N-[(E)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]acetamide
CID 135590284
N-[4-[[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 135560215

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol?
The IUPAC name of 2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol (CID 135890288) is 2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol.
What is the SMILES notation for 2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol?
The canonical SMILES for 2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol is Cc1cccc(OP(=O)(N/N=C\c2cc(Br)ccc2O)Oc2cccc(C)c2C)c1C.
What is the InChIKey of 2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol?
The InChIKey is WEGOCNUQJFBTMP-QFEZKATASA-N. The full InChI is InChI=1S/C23H24BrN2O4P/c1-15-7-5-9-22(17(15)3)29-31(28,30-23-10-6-8-16(2)18(23)4)26-25-14-19-13-20(24)11-12-21(19)27/h5-14,27H,1-4H3,(H,26,28)/b25-14-.
What are the key properties of 2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol?
2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol has a molecular weight of 503.33 g/mol, XLogP of 6.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[bis(2,3-dimethylphenoxy)phosphorylhydrazinylidene]methyl]-4-bromophenol is sourced from PubChem (CID 135890288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).