hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium

C10H14NO2+ — CID 23855238

IUPAChydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium
SMILESCC(C)[N+](O)=Cc1ccc(O)cc1
InChIInChI=1S/C10H13NO2/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-8,13H,1-2H3/p+1
InChIKeyQRXIIEKKCZRHJH-UHFFFAOYSA-O
MW180.23 g/mol
LogP1.62
Rot. Bonds2

About hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium

hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium (PubChem CID 23855238) has the molecular formula C10H14NO2+ and a molecular weight of 180.23 g/mol. Its IUPAC name is hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium.

Molecular Properties

Compound Namehydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium
PubChem CID23855238
Molecular FormulaC10H14NO2+
Molecular Weight180.23 g/mol
Exact Mass180.10
IUPAC Namehydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium
SMILESCC(C)[N+](O)=Cc1ccc(O)cc1
InChIInChI=1S/C10H13NO2/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-8,13H,1-2H3/p+1
InChIKeyQRXIIEKKCZRHJH-UHFFFAOYSA-O
XLogP1.62
TPSA43.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium?
The IUPAC name of hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium (CID 23855238) is hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium.
What is the SMILES notation for hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium?
The canonical SMILES for hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium is CC(C)[N+](O)=Cc1ccc(O)cc1.
What is the InChIKey of hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium?
The InChIKey is QRXIIEKKCZRHJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13NO2/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-8,13H,1-2H3/p+1.
What are the key properties of hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium?
hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium has a molecular weight of 180.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(4-hydroxyphenyl)methylidene]-propan-2-ylazanium is sourced from PubChem (CID 23855238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).