2-amino-3-chlorophenol;4-aminophenol

C12H13ClN2O2 — CID 174770945

IUPAC2-amino-3-chlorophenol;4-aminophenol
SMILESNc1c(O)cccc1Cl.Nc1ccc(O)cc1
InChIInChI=1S/C6H6ClNO.C6H7NO/c7-4-2-1-3-5(9)6(4)8;7-5-1-3-6(8)4-2-5/h1-3,9H,8H2;1-4,8H,7H2
InChIKeyOWGZYKGIQNWAFI-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.60
Rot. Bonds

About 2-amino-3-chlorophenol;4-aminophenol

2-amino-3-chlorophenol;4-aminophenol (PubChem CID 174770945) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-amino-3-chlorophenol;4-aminophenol.

Molecular Properties

Compound Name2-amino-3-chlorophenol;4-aminophenol
PubChem CID174770945
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-amino-3-chlorophenol;4-aminophenol
SMILESNc1c(O)cccc1Cl.Nc1ccc(O)cc1
InChIInChI=1S/C6H6ClNO.C6H7NO/c7-4-2-1-3-5(9)6(4)8;7-5-1-3-6(8)4-2-5/h1-3,9H,8H2;1-4,8H,7H2
InChIKeyOWGZYKGIQNWAFI-UHFFFAOYSA-N
XLogP2.60
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.60
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': '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-3-chlorophenol;4-aminophenol?
The IUPAC name of 2-amino-3-chlorophenol;4-aminophenol (CID 174770945) is 2-amino-3-chlorophenol;4-aminophenol.
What is the SMILES notation for 2-amino-3-chlorophenol;4-aminophenol?
The canonical SMILES for 2-amino-3-chlorophenol;4-aminophenol is Nc1c(O)cccc1Cl.Nc1ccc(O)cc1.
What is the InChIKey of 2-amino-3-chlorophenol;4-aminophenol?
The InChIKey is OWGZYKGIQNWAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO.C6H7NO/c7-4-2-1-3-5(9)6(4)8;7-5-1-3-6(8)4-2-5/h1-3,9H,8H2;1-4,8H,7H2.
What are the key properties of 2-amino-3-chlorophenol;4-aminophenol?
2-amino-3-chlorophenol;4-aminophenol has a molecular weight of 252.70 g/mol, XLogP of 2.60, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chlorophenol;4-aminophenol is sourced from PubChem (CID 174770945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).