4-(aminooxymethyl)-2-chloro-6-methylphenol

C8H10ClNO2 — CID 117280928

IUPAC4-(aminooxymethyl)-2-chloro-6-methylphenol
SMILESCc1cc(CON)cc(Cl)c1O
InChIInChI=1S/C8H10ClNO2/c1-5-2-6(4-12-10)3-7(9)8(5)11/h2-3,11H,4,10H2,1H3
InChIKeyZRUJNQKEGYKZNY-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.74
Rot. Bonds2

About 4-(aminooxymethyl)-2-chloro-6-methylphenol

4-(aminooxymethyl)-2-chloro-6-methylphenol (PubChem CID 117280928) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-(aminooxymethyl)-2-chloro-6-methylphenol.

Molecular Properties

Compound Name4-(aminooxymethyl)-2-chloro-6-methylphenol
PubChem CID117280928
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name4-(aminooxymethyl)-2-chloro-6-methylphenol
SMILESCc1cc(CON)cc(Cl)c1O
InChIInChI=1S/C8H10ClNO2/c1-5-2-6(4-12-10)3-7(9)8(5)11/h2-3,11H,4,10H2,1H3
InChIKeyZRUJNQKEGYKZNY-UHFFFAOYSA-N
XLogP1.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.74
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

4-(3-aminopropyl)-2-chloro-6-methylphenol
CID 84775581
O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117445197
4-(aminooxymethyl)-2-methylphenol
CID 117276023
methyl (2S)-2-amino-3-(3-chloro-4-hydroxy-5-methylphenyl)propanoate;hydrochloride
CID 69314172
3-(3-chloro-4-hydroxy-5-methylphenyl)propanenitrile
CID 84773803
ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine
CID 154695651
O-[(3-chloro-5-methylphenyl)methyl]hydroxylamine
CID 117276898
(3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane
CID 154694821
O-[(3,4-dichlorophenyl)methyl]hydroxylamine
CID 2764016
2-chloro-4-methoxy-6-methylphenol
CID 122163446
5-(aminooxymethyl)-2-chlorophenol;hydrochloride
CID 172820191
2-chloro-6-methyl-4-sulfanylphenol
CID 91874324

Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)-2-chloro-6-methylphenol?
The IUPAC name of 4-(aminooxymethyl)-2-chloro-6-methylphenol (CID 117280928) is 4-(aminooxymethyl)-2-chloro-6-methylphenol.
What is the SMILES notation for 4-(aminooxymethyl)-2-chloro-6-methylphenol?
The canonical SMILES for 4-(aminooxymethyl)-2-chloro-6-methylphenol is Cc1cc(CON)cc(Cl)c1O.
What is the InChIKey of 4-(aminooxymethyl)-2-chloro-6-methylphenol?
The InChIKey is ZRUJNQKEGYKZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-5-2-6(4-12-10)3-7(9)8(5)11/h2-3,11H,4,10H2,1H3.
What are the key properties of 4-(aminooxymethyl)-2-chloro-6-methylphenol?
4-(aminooxymethyl)-2-chloro-6-methylphenol has a molecular weight of 187.63 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethyl)-2-chloro-6-methylphenol is sourced from PubChem (CID 117280928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).