4-(2-nitroanilino)phenol

C12H10N2O3 — CID 3846708

IUPAC4-(2-nitroanilino)phenol
SMILESO=[N+]([O-])c1ccccc1Nc1ccc(O)cc1
InChIInChI=1S/C12H10N2O3/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17/h1-8,13,15H
InChIKeyHSDSBIUUVWRHTM-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.04
Rot. Bonds3

About 4-(2-nitroanilino)phenol

4-(2-nitroanilino)phenol (PubChem CID 3846708) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-(2-nitroanilino)phenol.

Molecular Properties

Compound Name4-(2-nitroanilino)phenol
PubChem CID3846708
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-(2-nitroanilino)phenol
SMILESO=[N+]([O-])c1ccccc1Nc1ccc(O)cc1
InChIInChI=1S/C12H10N2O3/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17/h1-8,13,15H
InChIKeyHSDSBIUUVWRHTM-UHFFFAOYSA-N
XLogP3.04
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-nitroanilino)phenol?
The IUPAC name of 4-(2-nitroanilino)phenol (CID 3846708) is 4-(2-nitroanilino)phenol.
What is the SMILES notation for 4-(2-nitroanilino)phenol?
The canonical SMILES for 4-(2-nitroanilino)phenol is O=[N+]([O-])c1ccccc1Nc1ccc(O)cc1.
What is the InChIKey of 4-(2-nitroanilino)phenol?
The InChIKey is HSDSBIUUVWRHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17/h1-8,13,15H.
What are the key properties of 4-(2-nitroanilino)phenol?
4-(2-nitroanilino)phenol has a molecular weight of 230.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitroanilino)phenol is sourced from PubChem (CID 3846708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).