(4-hydroxyphenyl)-methylazanium

C7H10NO+ — CID 4611303

IUPAC(4-hydroxyphenyl)-methylazanium
SMILESC[NH2+]c1ccc(O)cc1
InChIInChI=1S/C7H9NO/c1-8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3/p+1
InChIKeyZFIQGRISGKSVAG-UHFFFAOYSA-O
MW124.16 g/mol
LogP0.22
Rot. Bonds1

About (4-hydroxyphenyl)-methylazanium

(4-hydroxyphenyl)-methylazanium (PubChem CID 4611303) has the molecular formula C7H10NO+ and a molecular weight of 124.16 g/mol. Its IUPAC name is (4-hydroxyphenyl)-methylazanium.

Molecular Properties

Compound Name(4-hydroxyphenyl)-methylazanium
PubChem CID4611303
Molecular FormulaC7H10NO+
Molecular Weight124.16 g/mol
Exact Mass124.08
IUPAC Name(4-hydroxyphenyl)-methylazanium
SMILESC[NH2+]c1ccc(O)cc1
InChIInChI=1S/C7H9NO/c1-8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3/p+1
InChIKeyZFIQGRISGKSVAG-UHFFFAOYSA-O
XLogP0.22
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-methylazanium?
The IUPAC name of (4-hydroxyphenyl)-methylazanium (CID 4611303) is (4-hydroxyphenyl)-methylazanium.
What is the SMILES notation for (4-hydroxyphenyl)-methylazanium?
The canonical SMILES for (4-hydroxyphenyl)-methylazanium is C[NH2+]c1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl)-methylazanium?
The InChIKey is ZFIQGRISGKSVAG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9NO/c1-8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3/p+1.
What are the key properties of (4-hydroxyphenyl)-methylazanium?
(4-hydroxyphenyl)-methylazanium has a molecular weight of 124.16 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-methylazanium is sourced from PubChem (CID 4611303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).