2-amino-4-(5-chloro-2-hydroxyanilino)phenol

C12H11ClN2O2 — CID 123509412

IUPAC2-amino-4-(5-chloro-2-hydroxyanilino)phenol
SMILESNc1cc(Nc2cc(Cl)ccc2O)ccc1O
InChIInChI=1S/C12H11ClN2O2/c13-7-1-3-12(17)10(5-7)15-8-2-4-11(16)9(14)6-8/h1-6,15-17H,14H2
InChIKeyNFSKXOZPKRYCIE-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.08
Rot. Bonds2

About 2-amino-4-(5-chloro-2-hydroxyanilino)phenol

2-amino-4-(5-chloro-2-hydroxyanilino)phenol (PubChem CID 123509412) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-amino-4-(5-chloro-2-hydroxyanilino)phenol.

Molecular Properties

Compound Name2-amino-4-(5-chloro-2-hydroxyanilino)phenol
PubChem CID123509412
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-amino-4-(5-chloro-2-hydroxyanilino)phenol
SMILESNc1cc(Nc2cc(Cl)ccc2O)ccc1O
InChIInChI=1S/C12H11ClN2O2/c13-7-1-3-12(17)10(5-7)15-8-2-4-11(16)9(14)6-8/h1-6,15-17H,14H2
InChIKeyNFSKXOZPKRYCIE-UHFFFAOYSA-N
XLogP3.08
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-chloro-2-hydroxyanilino)phenol?
The IUPAC name of 2-amino-4-(5-chloro-2-hydroxyanilino)phenol (CID 123509412) is 2-amino-4-(5-chloro-2-hydroxyanilino)phenol.
What is the SMILES notation for 2-amino-4-(5-chloro-2-hydroxyanilino)phenol?
The canonical SMILES for 2-amino-4-(5-chloro-2-hydroxyanilino)phenol is Nc1cc(Nc2cc(Cl)ccc2O)ccc1O.
What is the InChIKey of 2-amino-4-(5-chloro-2-hydroxyanilino)phenol?
The InChIKey is NFSKXOZPKRYCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-7-1-3-12(17)10(5-7)15-8-2-4-11(16)9(14)6-8/h1-6,15-17H,14H2.
What are the key properties of 2-amino-4-(5-chloro-2-hydroxyanilino)phenol?
2-amino-4-(5-chloro-2-hydroxyanilino)phenol has a molecular weight of 250.69 g/mol, XLogP of 3.08, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-chloro-2-hydroxyanilino)phenol is sourced from PubChem (CID 123509412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).