5-(aminooxymethyl)-2-chlorophenol;hydrochloride

C7H9Cl2NO2 — CID 172820191

IUPAC5-(aminooxymethyl)-2-chlorophenol;hydrochloride
SMILESCl.NOCc1ccc(Cl)c(O)c1
InChIInChI=1S/C7H8ClNO2.ClH/c8-6-2-1-5(4-11-9)3-7(6)10;/h1-3,10H,4,9H2;1H
InChIKeyUCUMYKBGNICMFT-UHFFFAOYSA-N
MW210.06 g/mol
LogP1.86
Rot. Bonds2

About 5-(aminooxymethyl)-2-chlorophenol;hydrochloride

5-(aminooxymethyl)-2-chlorophenol;hydrochloride (PubChem CID 172820191) has the molecular formula C7H9Cl2NO2 and a molecular weight of 210.06 g/mol. Its IUPAC name is 5-(aminooxymethyl)-2-chlorophenol;hydrochloride.

Molecular Properties

Compound Name5-(aminooxymethyl)-2-chlorophenol;hydrochloride
PubChem CID172820191
Molecular FormulaC7H9Cl2NO2
Molecular Weight210.06 g/mol
Exact Mass209.00
IUPAC Name5-(aminooxymethyl)-2-chlorophenol;hydrochloride
SMILESCl.NOCc1ccc(Cl)c(O)c1
InChIInChI=1S/C7H8ClNO2.ClH/c8-6-2-1-5(4-11-9)3-7(6)10;/h1-3,10H,4,9H2;1H
InChIKeyUCUMYKBGNICMFT-UHFFFAOYSA-N
XLogP1.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.06
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-[(3,4-dichlorophenyl)methyl]hydroxylamine
CID 2764016
4-(aminooxymethyl)-2-methylphenol
CID 117276023
O-[(3-chloro-4-propan-2-ylphenyl)methyl]hydroxylamine
CID 117288927
4-chlorobenzene-1,3-diol
CID 1731
4-(aminooxymethyl)-2-(1-fluoroethyl)phenol
CID 117280118
5-(4-aminophenoxy)-2-chlorophenol
CID 129011714
O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117327701
4-(aminooxymethyl)-2-chloro-6-methylphenol
CID 117280928
1,2-dichloro-4-(hydroperoxymethyl)benzene
CID 166873402
O-[(3,4-difluorophenyl)methyl]hydroxylamine
CID 19876093
O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine
CID 13380966
2-chloro-5-(piperidin-1-ylmethyl)phenol
CID 117221593

Frequently Asked Questions

What is the IUPAC name of 5-(aminooxymethyl)-2-chlorophenol;hydrochloride?
The IUPAC name of 5-(aminooxymethyl)-2-chlorophenol;hydrochloride (CID 172820191) is 5-(aminooxymethyl)-2-chlorophenol;hydrochloride.
What is the SMILES notation for 5-(aminooxymethyl)-2-chlorophenol;hydrochloride?
The canonical SMILES for 5-(aminooxymethyl)-2-chlorophenol;hydrochloride is Cl.NOCc1ccc(Cl)c(O)c1.
What is the InChIKey of 5-(aminooxymethyl)-2-chlorophenol;hydrochloride?
The InChIKey is UCUMYKBGNICMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2.ClH/c8-6-2-1-5(4-11-9)3-7(6)10;/h1-3,10H,4,9H2;1H.
What are the key properties of 5-(aminooxymethyl)-2-chlorophenol;hydrochloride?
5-(aminooxymethyl)-2-chlorophenol;hydrochloride has a molecular weight of 210.06 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminooxymethyl)-2-chlorophenol;hydrochloride is sourced from PubChem (CID 172820191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).