4-amino-2,6-dichlorophenol;4-aminophenol

C12H12Cl2N2O2 — CID 53325335

IUPAC4-amino-2,6-dichlorophenol;4-aminophenol
SMILESNc1cc(Cl)c(O)c(Cl)c1.Nc1ccc(O)cc1
InChIInChI=1S/C6H5Cl2NO.C6H7NO/c7-4-1-3(9)2-5(8)6(4)10;7-5-1-3-6(8)4-2-5/h1-2,10H,9H2;1-4,8H,7H2
InChIKeySCWBSTVOWDDYHH-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.26
Rot. Bonds

About 4-amino-2,6-dichlorophenol;4-aminophenol

4-amino-2,6-dichlorophenol;4-aminophenol (PubChem CID 53325335) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 4-amino-2,6-dichlorophenol;4-aminophenol.

Molecular Properties

Compound Name4-amino-2,6-dichlorophenol;4-aminophenol
PubChem CID53325335
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name4-amino-2,6-dichlorophenol;4-aminophenol
SMILESNc1cc(Cl)c(O)c(Cl)c1.Nc1ccc(O)cc1
InChIInChI=1S/C6H5Cl2NO.C6H7NO/c7-4-1-3(9)2-5(8)6(4)10;7-5-1-3-6(8)4-2-5/h1-2,10H,9H2;1-4,8H,7H2
InChIKeySCWBSTVOWDDYHH-UHFFFAOYSA-N
XLogP3.26
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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-dichlorophenol;4-aminophenol?
The IUPAC name of 4-amino-2,6-dichlorophenol;4-aminophenol (CID 53325335) is 4-amino-2,6-dichlorophenol;4-aminophenol.
What is the SMILES notation for 4-amino-2,6-dichlorophenol;4-aminophenol?
The canonical SMILES for 4-amino-2,6-dichlorophenol;4-aminophenol is Nc1cc(Cl)c(O)c(Cl)c1.Nc1ccc(O)cc1.
What is the InChIKey of 4-amino-2,6-dichlorophenol;4-aminophenol?
The InChIKey is SCWBSTVOWDDYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO.C6H7NO/c7-4-1-3(9)2-5(8)6(4)10;7-5-1-3-6(8)4-2-5/h1-2,10H,9H2;1-4,8H,7H2.
What are the key properties of 4-amino-2,6-dichlorophenol;4-aminophenol?
4-amino-2,6-dichlorophenol;4-aminophenol has a molecular weight of 287.15 g/mol, XLogP of 3.26, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichlorophenol;4-aminophenol is sourced from PubChem (CID 53325335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).