2-(4-aminophenyl)-4,6-dichlorophenol

C12H9Cl2NO — CID 39225052

IUPAC2-(4-aminophenyl)-4,6-dichlorophenol
SMILESNc1ccc(-c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C12H9Cl2NO/c13-8-5-10(12(16)11(14)6-8)7-1-3-9(15)4-2-7/h1-6,16H,15H2
InChIKeyABVRKSGDLAIDOK-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.95
Rot. Bonds1

About 2-(4-aminophenyl)-4,6-dichlorophenol

2-(4-aminophenyl)-4,6-dichlorophenol (PubChem CID 39225052) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 2-(4-aminophenyl)-4,6-dichlorophenol.

Molecular Properties

Compound Name2-(4-aminophenyl)-4,6-dichlorophenol
PubChem CID39225052
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name2-(4-aminophenyl)-4,6-dichlorophenol
SMILESNc1ccc(-c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C12H9Cl2NO/c13-8-5-10(12(16)11(14)6-8)7-1-3-9(15)4-2-7/h1-6,16H,15H2
InChIKeyABVRKSGDLAIDOK-UHFFFAOYSA-N
XLogP3.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4,6-trichlorophenyl)aniline
CID 19980994
2,4-dichloro-6-(3,4-dimethylphenyl)phenol
CID 82107036
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane
CID 145310067
3-amino-6-(4-aminophenyl)-2-chlorophenol
CID 151236147
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane
CID 145310066
5-amino-2-(4-chlorophenyl)phenol
CID 12067762
4-(4-aminophenyl)-2,5-dichloroaniline
CID 154170226
4-(4-aminophenyl)-3,5-dichloroaniline;hydrochloride
CID 172846418
4-[3-(4-aminophenyl)-2-(4-hydroxyphenyl)phenyl]phenol
CID 139931809
2,4-dichloro-6-(furan-2-yl)phenol
CID 168524545
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
2-(4-aminophenyl)-6-fluorophenol
CID 171109419

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-4,6-dichlorophenol?
The IUPAC name of 2-(4-aminophenyl)-4,6-dichlorophenol (CID 39225052) is 2-(4-aminophenyl)-4,6-dichlorophenol.
What is the SMILES notation for 2-(4-aminophenyl)-4,6-dichlorophenol?
The canonical SMILES for 2-(4-aminophenyl)-4,6-dichlorophenol is Nc1ccc(-c2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of 2-(4-aminophenyl)-4,6-dichlorophenol?
The InChIKey is ABVRKSGDLAIDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c13-8-5-10(12(16)11(14)6-8)7-1-3-9(15)4-2-7/h1-6,16H,15H2.
What are the key properties of 2-(4-aminophenyl)-4,6-dichlorophenol?
2-(4-aminophenyl)-4,6-dichlorophenol has a molecular weight of 254.12 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-4,6-dichlorophenol is sourced from PubChem (CID 39225052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).