(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium

C18H30NO2+ — CID 143106574

IUPAC(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium
SMILESCC(C)/[N+](O)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO2/c1-12(2)19(21)11-13-9-14(17(3,4)5)16(20)15(10-13)18(6,7)8/h9-12,21H,1-8H3/p+1
InChIKeyWPRQRUJLOSWNLR-UHFFFAOYSA-O
MW292.44 g/mol
LogP4.22
Rot. Bonds2

About (Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium

(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium (PubChem CID 143106574) has the molecular formula C18H30NO2+ and a molecular weight of 292.44 g/mol. Its IUPAC name is (Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium.

Molecular Properties

Compound Name(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium
PubChem CID143106574
Molecular FormulaC18H30NO2+
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium
SMILESCC(C)/[N+](O)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO2/c1-12(2)19(21)11-13-9-14(17(3,4)5)16(20)15(10-13)18(6,7)8/h9-12,21H,1-8H3/p+1
InChIKeyWPRQRUJLOSWNLR-UHFFFAOYSA-O
XLogP4.22
TPSA43.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium
CID 23855238
2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135909999
2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol
CID 88941839
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
CID 689095
2-tert-butyl-4-[(E)-2-(3-tert-butyl-4-hydroxy-5-methylphenyl)ethenyl]-6-methylphenol
CID 22321426
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethenyl]-2,6-ditert-butylphenol
CID 14838595
3-tert-butyl-4-hydroxy-5-nitrobenzaldehyde
CID 18677371
2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane
CID 172972510
2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
CID 170161611
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670

Frequently Asked Questions

What is the IUPAC name of (Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium?
The IUPAC name of (Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium (CID 143106574) is (Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium.
What is the SMILES notation for (Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium?
The canonical SMILES for (Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium is CC(C)/[N+](O)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of (Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium?
The InChIKey is WPRQRUJLOSWNLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H29NO2/c1-12(2)19(21)11-13-9-14(17(3,4)5)16(20)15(10-13)18(6,7)8/h9-12,21H,1-8H3/p+1.
What are the key properties of (Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium?
(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium has a molecular weight of 292.44 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium is sourced from PubChem (CID 143106574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).