4-(3,4-difluorophenyl)-2-nitrophenol

C12H7F2NO3 — CID 53221636

IUPAC4-(3,4-difluorophenyl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(-c2ccc(F)c(F)c2)ccc1O
InChIInChI=1S/C12H7F2NO3/c13-9-3-1-7(5-10(9)14)8-2-4-12(16)11(6-8)15(17)18/h1-6,16H
InChIKeyOUWVHPMLIOFKDJ-UHFFFAOYSA-N
MW251.19 g/mol
LogP3.25
Rot. Bonds2

About 4-(3,4-difluorophenyl)-2-nitrophenol

4-(3,4-difluorophenyl)-2-nitrophenol (PubChem CID 53221636) has the molecular formula C12H7F2NO3 and a molecular weight of 251.19 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-nitrophenol.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-nitrophenol
PubChem CID53221636
Molecular FormulaC12H7F2NO3
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Name4-(3,4-difluorophenyl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(-c2ccc(F)c(F)c2)ccc1O
InChIInChI=1S/C12H7F2NO3/c13-9-3-1-7(5-10(9)14)8-2-4-12(16)11(6-8)15(17)18/h1-6,16H
InChIKeyOUWVHPMLIOFKDJ-UHFFFAOYSA-N
XLogP3.25
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-4-phenylphenol
CID 13447
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
4-(2,3-difluorophenyl)-2-nitrophenol
CID 53221638
ethane;2-nitro-4-phenylphenol
CID 142062484
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610
6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
CID 71089393
2-nitro-4-[4-(trifluoromethoxy)phenyl]phenol
CID 53221716
azane;2,4-dinitrophenol;hydrate
CID 174664401
3-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221609
5-(4-chlorophenyl)-2-nitrophenol
CID 165357612
2-chloro-5-(4-hydroxy-3-nitrophenyl)benzonitrile
CID 53221678
1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone
CID 53221641

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-nitrophenol?
The IUPAC name of 4-(3,4-difluorophenyl)-2-nitrophenol (CID 53221636) is 4-(3,4-difluorophenyl)-2-nitrophenol.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-nitrophenol?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-nitrophenol is O=[N+]([O-])c1cc(-c2ccc(F)c(F)c2)ccc1O.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-nitrophenol?
The InChIKey is OUWVHPMLIOFKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO3/c13-9-3-1-7(5-10(9)14)8-2-4-12(16)11(6-8)15(17)18/h1-6,16H.
What are the key properties of 4-(3,4-difluorophenyl)-2-nitrophenol?
4-(3,4-difluorophenyl)-2-nitrophenol has a molecular weight of 251.19 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-nitrophenol is sourced from PubChem (CID 53221636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).