4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol

C17H20N2O — CID 169381697

IUPAC4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1ccc(O)c(C=NNc2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-17(2,3)14-9-10-16(20)13(11-14)12-18-19-15-7-5-4-6-8-15/h4-12,19-20H,1-3H3
InChIKeyKANYVIBZPPYQIS-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.14
Rot. Bonds3

About 4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol

4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol (PubChem CID 169381697) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
PubChem CID169381697
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1ccc(O)c(C=NNc2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-17(2,3)14-9-10-16(20)13(11-14)12-18-19-15-7-5-4-6-8-15/h4-12,19-20H,1-3H3
InChIKeyKANYVIBZPPYQIS-UHFFFAOYSA-N
XLogP4.14
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.14
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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Related Compounds

2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol
CID 139976285
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169382303
N-[(3-bromo-5-tert-butyl-2-fluorophenyl)methylideneamino]aniline
CID 169382608
2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol
CID 169383629
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 137026893
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347
4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol
CID 135512991
N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135519349
4-hexyl-6-[(Z)-(phenylhydrazinylidene)methyl]benzene-1,3-diol
CID 136836361

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol (CID 169381697) is 4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol is CC(C)(C)c1ccc(O)c(C=NNc2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol?
The InChIKey is KANYVIBZPPYQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)14-9-10-16(20)13(11-14)12-18-19-15-7-5-4-6-8-15/h4-12,19-20H,1-3H3.
What are the key properties of 4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol?
4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 169381697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).