4-amino-2,6-dichloro-3-methylphenol

C7H7Cl2NO — CID 12039354

IUPAC4-amino-2,6-dichloro-3-methylphenol
SMILESCc1c(N)cc(Cl)c(O)c1Cl
InChIInChI=1S/C7H7Cl2NO/c1-3-5(10)2-4(8)7(11)6(3)9/h2,11H,10H2,1H3
InChIKeyUKDFVSCRHPFVOI-UHFFFAOYSA-N
MW192.04 g/mol
LogP2.59
Rot. Bonds

About 4-amino-2,6-dichloro-3-methylphenol

4-amino-2,6-dichloro-3-methylphenol (PubChem CID 12039354) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-3-methylphenol.

Molecular Properties

Compound Name4-amino-2,6-dichloro-3-methylphenol
PubChem CID12039354
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC Name4-amino-2,6-dichloro-3-methylphenol
SMILESCc1c(N)cc(Cl)c(O)c1Cl
InChIInChI=1S/C7H7Cl2NO/c1-3-5(10)2-4(8)7(11)6(3)9/h2,11H,10H2,1H3
InChIKeyUKDFVSCRHPFVOI-UHFFFAOYSA-N
XLogP2.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-3-methylphenol?
The IUPAC name of 4-amino-2,6-dichloro-3-methylphenol (CID 12039354) is 4-amino-2,6-dichloro-3-methylphenol.
What is the SMILES notation for 4-amino-2,6-dichloro-3-methylphenol?
The canonical SMILES for 4-amino-2,6-dichloro-3-methylphenol is Cc1c(N)cc(Cl)c(O)c1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-3-methylphenol?
The InChIKey is UKDFVSCRHPFVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-3-5(10)2-4(8)7(11)6(3)9/h2,11H,10H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-3-methylphenol?
4-amino-2,6-dichloro-3-methylphenol has a molecular weight of 192.04 g/mol, XLogP of 2.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-3-methylphenol is sourced from PubChem (CID 12039354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).