6-chloro-2-[(methoxyamino)methyl]-3-methylphenol

C9H12ClNO2 — CID 117290479

IUPAC6-chloro-2-[(methoxyamino)methyl]-3-methylphenol
SMILESCONCc1c(C)ccc(Cl)c1O
InChIInChI=1S/C9H12ClNO2/c1-6-3-4-8(10)9(12)7(6)5-11-13-2/h3-4,11-12H,5H2,1-2H3
InChIKeyZOQPBGXBKSIRQO-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.01
Rot. Bonds3

About 6-chloro-2-[(methoxyamino)methyl]-3-methylphenol

6-chloro-2-[(methoxyamino)methyl]-3-methylphenol (PubChem CID 117290479) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 6-chloro-2-[(methoxyamino)methyl]-3-methylphenol.

Molecular Properties

Compound Name6-chloro-2-[(methoxyamino)methyl]-3-methylphenol
PubChem CID117290479
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name6-chloro-2-[(methoxyamino)methyl]-3-methylphenol
SMILESCONCc1c(C)ccc(Cl)c1O
InChIInChI=1S/C9H12ClNO2/c1-6-3-4-8(10)9(12)7(6)5-11-13-2/h3-4,11-12H,5H2,1-2H3
InChIKeyZOQPBGXBKSIRQO-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
CID 117288952
6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
CID 159859683
6-chloro-2-ethyl-3-methylphenol
CID 123495023
1-(2-chloro-3-fluoro-6-methylphenyl)-N-methoxymethanamine
CID 117292243
2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
CID 117287079
2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol
CID 117299228
6-chloro-4-[(methoxyamino)methyl]-1,3-benzodioxol-5-ol
CID 117335285
1-chloro-3-[(methoxyamino)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117392757
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
4-chloro-2-methoxy-6-[(methoxyamino)methyl]-3,5-dimethylphenol
CID 117366782
1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313541
5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
CID 116686483

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(methoxyamino)methyl]-3-methylphenol?
The IUPAC name of 6-chloro-2-[(methoxyamino)methyl]-3-methylphenol (CID 117290479) is 6-chloro-2-[(methoxyamino)methyl]-3-methylphenol.
What is the SMILES notation for 6-chloro-2-[(methoxyamino)methyl]-3-methylphenol?
The canonical SMILES for 6-chloro-2-[(methoxyamino)methyl]-3-methylphenol is CONCc1c(C)ccc(Cl)c1O.
What is the InChIKey of 6-chloro-2-[(methoxyamino)methyl]-3-methylphenol?
The InChIKey is ZOQPBGXBKSIRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-6-3-4-8(10)9(12)7(6)5-11-13-2/h3-4,11-12H,5H2,1-2H3.
What are the key properties of 6-chloro-2-[(methoxyamino)methyl]-3-methylphenol?
6-chloro-2-[(methoxyamino)methyl]-3-methylphenol has a molecular weight of 201.65 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(methoxyamino)methyl]-3-methylphenol is sourced from PubChem (CID 117290479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).