2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol

C24H29N3O — CID 136690371

IUPAC2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1cc(/C=N\Nc2ccc3ccccc3n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H29N3O/c1-23(2,3)18-13-16(14-19(22(18)28)24(4,5)6)15-25-27-21-12-11-17-9-7-8-10-20(17)26-21/h7-15,28H,1-6H3,(H,26,27)/b25-15-
InChIKeyCWBUZHSSXNAQDS-MYYYXRDXSA-N
MW375.52 g/mol
LogP5.98
Rot. Bonds3

About 2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol

2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 136690371) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol
PubChem CID136690371
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1cc(/C=N\Nc2ccc3ccccc3n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H29N3O/c1-23(2,3)18-13-16(14-19(22(18)28)24(4,5)6)15-25-27-21-12-11-17-9-7-8-10-20(17)26-21/h7-15,28H,1-6H3,(H,26,27)/b25-15-
InChIKeyCWBUZHSSXNAQDS-MYYYXRDXSA-N
XLogP5.98
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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 2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol (CID 136690371) is 2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol is CC(C)(C)c1cc(/C=N\Nc2ccc3ccccc3n2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is CWBUZHSSXNAQDS-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H29N3O/c1-23(2,3)18-13-16(14-19(22(18)28)24(4,5)6)15-25-27-21-12-11-17-9-7-8-10-20(17)26-21/h7-15,28H,1-6H3,(H,26,27)/b25-15-.
What are the key properties of 2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol?
2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 375.52 g/mol, XLogP of 5.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 136690371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).