2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol

C17H20N2O — CID 169383629

IUPAC2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1ccc(C=NNc2ccccc2)cc1O
InChIInChI=1S/C17H20N2O/c1-17(2,3)15-10-9-13(11-16(15)20)12-18-19-14-7-5-4-6-8-14/h4-12,19-20H,1-3H3
InChIKeyKAKHWLPNISPAQT-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.14
Rot. Bonds3

About 2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol

2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol (PubChem CID 169383629) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol
PubChem CID169383629
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1ccc(C=NNc2ccccc2)cc1O
InChIInChI=1S/C17H20N2O/c1-17(2,3)15-10-9-13(11-16(15)20)12-18-19-14-7-5-4-6-8-14/h4-12,19-20H,1-3H3
InChIKeyKAKHWLPNISPAQT-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137080181
2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 135683062
4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381697
N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169384130
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135730470
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[(3-methylsulfanylphenyl)methylideneamino]aniline
CID 169381797
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid
CID 169381664
N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169384149
4-[3-[(phenylhydrazinylidene)methyl]phenyl]phenol
CID 169382274
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol (CID 169383629) is 2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol is CC(C)(C)c1ccc(C=NNc2ccccc2)cc1O.
What is the InChIKey of 2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol?
The InChIKey is KAKHWLPNISPAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)15-10-9-13(11-16(15)20)12-18-19-14-7-5-4-6-8-14/h4-12,19-20H,1-3H3.
What are the key properties of 2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol?
2-tert-butyl-5-[(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 2-tert-butyl-5-[(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 169383629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).