2-amino-4-chlorophenol

C6H6ClNO — CID 7265

IUPAC2-amino-4-chlorophenol
SMILESNc1cc(Cl)ccc1O
InChIInChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChIKeySWFNPENEBHAHEB-UHFFFAOYSA-N
MW143.57 g/mol
LogP1.63
Rot. Bonds

About 2-amino-4-chlorophenol

2-amino-4-chlorophenol (PubChem CID 7265) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is 2-amino-4-chlorophenol.

Molecular Properties

Compound Name2-amino-4-chlorophenol
PubChem CID7265
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name2-amino-4-chlorophenol
SMILESNc1cc(Cl)ccc1O
InChIInChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChIKeySWFNPENEBHAHEB-UHFFFAOYSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Aminophenol
CID 5801
5-Chloro-2-methoxyaniline
CID 66763
2-Amino-4,6-dichlorophenol
CID 10699
2-Amino-4-chloro-6-nitrophenol
CID 4348294
4-Amino-2-chlorophenol
CID 77578
2-Amino-5-chlorophenol
CID 91591
2-Amino-6-chlorophenol
CID 6486025
4-Chloro-2-nitrophenol
CID 6980
2-Aminophenol hydrochloride
CID 5800
3-Amino-4-chlorophenol
CID 5070078
2-Acetylamino-4-chlorophenol
CID 95258
4-Chloro-2-phenylazo-phenol
CID 257496

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chlorophenol?
The IUPAC name of 2-amino-4-chlorophenol (CID 7265) is 2-amino-4-chlorophenol.
What is the SMILES notation for 2-amino-4-chlorophenol?
The canonical SMILES for 2-amino-4-chlorophenol is Nc1cc(Cl)ccc1O.
What is the InChIKey of 2-amino-4-chlorophenol?
The InChIKey is SWFNPENEBHAHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2.
What are the key properties of 2-amino-4-chlorophenol?
2-amino-4-chlorophenol has a molecular weight of 143.57 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chlorophenol is sourced from PubChem (CID 7265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).