5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol

C9H12ClNO3 — CID 117310285

IUPAC5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol
SMILESCOc1c(O)cc(Cl)c(C)c1CNO
InChIInChI=1S/C9H12ClNO3/c1-5-6(4-11-13)9(14-2)8(12)3-7(5)10/h3,11-13H,4H2,1-2H3
InChIKeyACRXDGAWYCTYAX-UHFFFAOYSA-N
MW217.65 g/mol
LogP1.84
Rot. Bonds3

About 5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol

5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol (PubChem CID 117310285) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol.

Molecular Properties

Compound Name5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol
PubChem CID117310285
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol
SMILESCOc1c(O)cc(Cl)c(C)c1CNO
InChIInChI=1S/C9H12ClNO3/c1-5-6(4-11-13)9(14-2)8(12)3-7(5)10/h3,11-13H,4H2,1-2H3
InChIKeyACRXDGAWYCTYAX-UHFFFAOYSA-N
XLogP1.84
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-3-hydroxy-2-methoxy-6-methylphenyl)propan-2-one
CID 117329472
N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84787177
N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 143635325
N-[(3-chloro-5-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117290406
methyl 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetate
CID 82552401
3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol
CID 84777573
3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
CID 117422675
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
5-chloro-4-fluoro-3-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117296925
methyl 3-chloro-5-hydroxy-4-methylbenzoate
CID 10241910
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
CID 82552404

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol?
The IUPAC name of 5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol (CID 117310285) is 5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol.
What is the SMILES notation for 5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol?
The canonical SMILES for 5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol is COc1c(O)cc(Cl)c(C)c1CNO.
What is the InChIKey of 5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol?
The InChIKey is ACRXDGAWYCTYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3/c1-5-6(4-11-13)9(14-2)8(12)3-7(5)10/h3,11-13H,4H2,1-2H3.
What are the key properties of 5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol?
5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol has a molecular weight of 217.65 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(hydroxyamino)methyl]-2-methoxy-4-methylphenol is sourced from PubChem (CID 117310285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).