4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol

C19H22N2O — CID 56983178

IUPAC4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(N=C=Nc2ccccc2)cc(C(C)C)c1O
InChIInChI=1S/C19H22N2O/c1-13(2)17-10-16(11-18(14(3)4)19(17)22)21-12-20-15-8-6-5-7-9-15/h5-11,13-14,22H,1-4H3
InChIKeyPZGRNAWHBXOOJY-UHFFFAOYSA-N
MW294.40 g/mol
LogP5.78
Rot. Bonds4

About 4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol

4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol (PubChem CID 56983178) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol
PubChem CID56983178
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(N=C=Nc2ccccc2)cc(C(C)C)c1O
InChIInChI=1S/C19H22N2O/c1-13(2)17-10-16(11-18(14(3)4)19(17)22)21-12-20-15-8-6-5-7-9-15/h5-11,13-14,22H,1-4H3
InChIKeyPZGRNAWHBXOOJY-UHFFFAOYSA-N
XLogP5.78
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-diphenylmethanediimine;fluoromethane
CID 158642010
chloromethane;N,N'-diphenylmethanediimine
CID 160533177
2,6-di(propan-2-yl)phenol;phenyliminomolybdenum
CID 175693069
4-[(4-hydroxyphenyl)diazenyl]-2-propan-2-ylphenol
CID 136932765
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
anisole;N,N'-diphenylmethanediimine
CID 157139667
2,6-di(propan-2-yl)phenol;silver
CID 174803720
2-chloro-4-phenyl-6-propan-2-ylphenol
CID 146604618
4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid
CID 159385811
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858

Frequently Asked Questions

What is the IUPAC name of 4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol (CID 56983178) is 4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol is CC(C)c1cc(N=C=Nc2ccccc2)cc(C(C)C)c1O.
What is the InChIKey of 4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol?
The InChIKey is PZGRNAWHBXOOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13(2)17-10-16(11-18(14(3)4)19(17)22)21-12-20-15-8-6-5-7-9-15/h5-11,13-14,22H,1-4H3.
What are the key properties of 4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol?
4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol has a molecular weight of 294.40 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 56983178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).