(2-hydroxyphenyl)methylazanium

C7H10NO+ — CID 6930904

IUPAC(2-hydroxyphenyl)methylazanium
SMILES[NH3+]Cc1ccccc1O
InChIInChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2/p+1
InChIKeyKPRZOPQOBJRYSW-UHFFFAOYSA-O
MW124.16 g/mol
LogP0.13
Rot. Bonds1

About (2-hydroxyphenyl)methylazanium

(2-hydroxyphenyl)methylazanium (PubChem CID 6930904) has the molecular formula C7H10NO+ and a molecular weight of 124.16 g/mol. Its IUPAC name is (2-hydroxyphenyl)methylazanium.

Molecular Properties

Compound Name(2-hydroxyphenyl)methylazanium
PubChem CID6930904
Molecular FormulaC7H10NO+
Molecular Weight124.16 g/mol
Exact Mass124.08
IUPAC Name(2-hydroxyphenyl)methylazanium
SMILES[NH3+]Cc1ccccc1O
InChIInChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2/p+1
InChIKeyKPRZOPQOBJRYSW-UHFFFAOYSA-O
XLogP0.13
TPSA47.87 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 ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

CID 175749710
CID 175749710
2-(hydroxymethyl)phenol;methane
CID 157439231
CID 147052016
CID 147052016
CID 137424646
CID 137424646
2-[[(2-hydroxyphenyl)methyldiselanyl]methyl]phenol
CID 86066377
2-(aminomethyl)phenol;methane
CID 158060419
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
calcium;hydride;2-(hydroxymethyl)phenol
CID 173090882
benzene;2-ethylphenol
CID 159726745
(2-hydroxyphenyl)methyl-methylazanium
CID 36689670
formaldehyde;2-(hydroxymethyl)phenol
CID 69155710

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)methylazanium?
The IUPAC name of (2-hydroxyphenyl)methylazanium (CID 6930904) is (2-hydroxyphenyl)methylazanium.
What is the SMILES notation for (2-hydroxyphenyl)methylazanium?
The canonical SMILES for (2-hydroxyphenyl)methylazanium is [NH3+]Cc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)methylazanium?
The InChIKey is KPRZOPQOBJRYSW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H,5,8H2/p+1.
What are the key properties of (2-hydroxyphenyl)methylazanium?
(2-hydroxyphenyl)methylazanium has a molecular weight of 124.16 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)methylazanium is sourced from PubChem (CID 6930904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).