3-(aminooxymethyl)-6-chloro-2-methoxyphenol

C8H10ClNO3 — CID 117292180

IUPAC3-(aminooxymethyl)-6-chloro-2-methoxyphenol
SMILESCOc1c(CON)ccc(Cl)c1O
InChIInChI=1S/C8H10ClNO3/c1-12-8-5(4-13-10)2-3-6(9)7(8)11/h2-3,11H,4,10H2,1H3
InChIKeyKRAAOMYJMFXNOE-UHFFFAOYSA-N
MW203.62 g/mol
LogP1.44
Rot. Bonds3

About 3-(aminooxymethyl)-6-chloro-2-methoxyphenol

3-(aminooxymethyl)-6-chloro-2-methoxyphenol (PubChem CID 117292180) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 3-(aminooxymethyl)-6-chloro-2-methoxyphenol.

Molecular Properties

Compound Name3-(aminooxymethyl)-6-chloro-2-methoxyphenol
PubChem CID117292180
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name3-(aminooxymethyl)-6-chloro-2-methoxyphenol
SMILESCOc1c(CON)ccc(Cl)c1O
InChIInChI=1S/C8H10ClNO3/c1-12-8-5(4-13-10)2-3-6(9)7(8)11/h2-3,11H,4,10H2,1H3
InChIKeyKRAAOMYJMFXNOE-UHFFFAOYSA-N
XLogP1.44
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117326901
2-(aminooxymethyl)-6-chlorophenol
CID 117277054
O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine
CID 117310273
3-(4-chloro-3-hydroxy-2-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117400353
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
(4-chloro-2,3-dimethoxyphenyl)methanol
CID 84671127
O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117330895
O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117335488

Frequently Asked Questions

What is the IUPAC name of 3-(aminooxymethyl)-6-chloro-2-methoxyphenol?
The IUPAC name of 3-(aminooxymethyl)-6-chloro-2-methoxyphenol (CID 117292180) is 3-(aminooxymethyl)-6-chloro-2-methoxyphenol.
What is the SMILES notation for 3-(aminooxymethyl)-6-chloro-2-methoxyphenol?
The canonical SMILES for 3-(aminooxymethyl)-6-chloro-2-methoxyphenol is COc1c(CON)ccc(Cl)c1O.
What is the InChIKey of 3-(aminooxymethyl)-6-chloro-2-methoxyphenol?
The InChIKey is KRAAOMYJMFXNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3/c1-12-8-5(4-13-10)2-3-6(9)7(8)11/h2-3,11H,4,10H2,1H3.
What are the key properties of 3-(aminooxymethyl)-6-chloro-2-methoxyphenol?
3-(aminooxymethyl)-6-chloro-2-methoxyphenol has a molecular weight of 203.62 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminooxymethyl)-6-chloro-2-methoxyphenol is sourced from PubChem (CID 117292180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).