4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol

C17H20N2O — CID 564882

IUPAC4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol
SMILESCCC(C)c1ccc(O)c(C=NNc2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-3-13(2)14-9-10-17(20)15(11-14)12-18-19-16-7-5-4-6-8-16/h4-13,19-20H,3H2,1-2H3
InChIKeyMANTURARHIFNHT-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.35
Rot. Bonds5

About 4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol

4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol (PubChem CID 564882) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol
PubChem CID564882
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol
SMILESCCC(C)c1ccc(O)c(C=NNc2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-3-13(2)14-9-10-17(20)15(11-14)12-18-19-16-7-5-4-6-8-16/h4-13,19-20H,3H2,1-2H3
InChIKeyMANTURARHIFNHT-UHFFFAOYSA-N
XLogP4.35
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol (CID 564882) is 4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol is CCC(C)c1ccc(O)c(C=NNc2ccccc2)c1.
What is the InChIKey of 4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol?
The InChIKey is MANTURARHIFNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-13(2)14-9-10-17(20)15(11-14)12-18-19-16-7-5-4-6-8-16/h4-13,19-20H,3H2,1-2H3.
What are the key properties of 4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol?
4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-[(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 564882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).