2-[[hydroxy(oxido)amino]methyl]phenol

C7H8NO3- — CID 141185826

IUPAC2-[[hydroxy(oxido)amino]methyl]phenol
SMILES[O-]N(O)Cc1ccccc1O
InChIInChI=1S/C7H8NO3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9-10H,5H2/q-1
InChIKeyDLMHKVVZJPQBNH-UHFFFAOYSA-N
MW154.15 g/mol
LogP1.08
Rot. Bonds2

About 2-[[hydroxy(oxido)amino]methyl]phenol

2-[[hydroxy(oxido)amino]methyl]phenol (PubChem CID 141185826) has the molecular formula C7H8NO3- and a molecular weight of 154.15 g/mol. Its IUPAC name is 2-[[hydroxy(oxido)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[hydroxy(oxido)amino]methyl]phenol
PubChem CID141185826
Molecular FormulaC7H8NO3-
Molecular Weight154.15 g/mol
Exact Mass154.05
IUPAC Name2-[[hydroxy(oxido)amino]methyl]phenol
SMILES[O-]N(O)Cc1ccccc1O
InChIInChI=1S/C7H8NO3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9-10H,5H2/q-1
InChIKeyDLMHKVVZJPQBNH-UHFFFAOYSA-N
XLogP1.08
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)phenol;methane
CID 157439231
CID 137424646
CID 137424646
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol
CID 115884791
N-amino-N-[(2-hydroxyphenyl)methyl]nitramide
CID 141472413
calcium;hydride;2-(hydroxymethyl)phenol
CID 173090882
[bis[(2-hydroxyphenyl)methyl]amino]methylphosphonous acid
CID 171527926
N,N-bis[(2-hydroxyphenyl)methyl]acetamide
CID 88774811
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
ethane;2-[[[3-[(2-hydroxyphenyl)methyl-methylamino]-2,3-dimethylbutan-2-yl]-methylamino]methyl]phenol
CID 167677663
CID 175749710
CID 175749710
cyclohexane;2-(hydroxymethyl)phenol
CID 174697635
formaldehyde;2-(hydroxymethyl)phenol
CID 69155710

Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy(oxido)amino]methyl]phenol?
The IUPAC name of 2-[[hydroxy(oxido)amino]methyl]phenol (CID 141185826) is 2-[[hydroxy(oxido)amino]methyl]phenol.
What is the SMILES notation for 2-[[hydroxy(oxido)amino]methyl]phenol?
The canonical SMILES for 2-[[hydroxy(oxido)amino]methyl]phenol is [O-]N(O)Cc1ccccc1O.
What is the InChIKey of 2-[[hydroxy(oxido)amino]methyl]phenol?
The InChIKey is DLMHKVVZJPQBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9-10H,5H2/q-1.
What are the key properties of 2-[[hydroxy(oxido)amino]methyl]phenol?
2-[[hydroxy(oxido)amino]methyl]phenol has a molecular weight of 154.15 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(oxido)amino]methyl]phenol is sourced from PubChem (CID 141185826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).