4-(4-aminophenyl)-2-methoxy-6-nitrophenol

C13H12N2O4 — CID 116987628

IUPAC4-(4-aminophenyl)-2-methoxy-6-nitrophenol
SMILESCOc1cc(-c2ccc(N)cc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C13H12N2O4/c1-19-12-7-9(6-11(13(12)16)15(17)18)8-2-4-10(14)5-3-8/h2-7,16H,14H2,1H3
InChIKeyCKMHLXVBXTVQRL-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.56
Rot. Bonds3

About 4-(4-aminophenyl)-2-methoxy-6-nitrophenol

4-(4-aminophenyl)-2-methoxy-6-nitrophenol (PubChem CID 116987628) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-methoxy-6-nitrophenol.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-methoxy-6-nitrophenol
PubChem CID116987628
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name4-(4-aminophenyl)-2-methoxy-6-nitrophenol
SMILESCOc1cc(-c2ccc(N)cc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C13H12N2O4/c1-19-12-7-9(6-11(13(12)16)15(17)18)8-2-4-10(14)5-3-8/h2-7,16H,14H2,1H3
InChIKeyCKMHLXVBXTVQRL-UHFFFAOYSA-N
XLogP2.56
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)-2,6-dinitroaniline;hydrochloride
CID 172733721
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
bis[2-(4-hydroxy-3-methoxy-5-nitrophenyl)-4-pyridinyl]methanone
CID 154492617
2-methoxy-6-nitro-4-quinoxalin-2-ylphenol
CID 135665324
2-methoxy-6-nitro-4-(sulfanylmethyl)phenol
CID 116987643
(4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone;(4-hydroxy-3-methoxyphenyl)-(4-methylphenyl)methanone
CID 158639636
4-(3-aminopropyl)-2-methoxy-6-nitrophenol
CID 83477660
4-[(1S)-1-aminoprop-2-enyl]-2-methoxy-6-nitrophenol
CID 171227655
4-[(1R)-1-aminoprop-2-enyl]-2-methoxy-6-nitrophenol
CID 171208075
4-[(1S)-1,2-diaminoethyl]-2-methoxy-6-nitrophenol
CID 66518103
4-[(1S)-1-aminobut-3-enyl]-2-methoxy-6-nitrophenol
CID 171227659
2-methoxy-4-[(4-methylphenyl)iminomethyl]-6-nitrophenol
CID 135851114

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2-methoxy-6-nitrophenol?
The IUPAC name of 4-(4-aminophenyl)-2-methoxy-6-nitrophenol (CID 116987628) is 4-(4-aminophenyl)-2-methoxy-6-nitrophenol.
What is the SMILES notation for 4-(4-aminophenyl)-2-methoxy-6-nitrophenol?
The canonical SMILES for 4-(4-aminophenyl)-2-methoxy-6-nitrophenol is COc1cc(-c2ccc(N)cc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-(4-aminophenyl)-2-methoxy-6-nitrophenol?
The InChIKey is CKMHLXVBXTVQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-19-12-7-9(6-11(13(12)16)15(17)18)8-2-4-10(14)5-3-8/h2-7,16H,14H2,1H3.
What are the key properties of 4-(4-aminophenyl)-2-methoxy-6-nitrophenol?
4-(4-aminophenyl)-2-methoxy-6-nitrophenol has a molecular weight of 260.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2-methoxy-6-nitrophenol is sourced from PubChem (CID 116987628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).