2-(4-bromophenyl)-4-nitrophenol

C12H8BrNO3 — CID 15039807

IUPAC2-(4-bromophenyl)-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(-c2ccc(Br)cc2)c1
InChIInChI=1S/C12H8BrNO3/c13-9-3-1-8(2-4-9)11-7-10(14(16)17)5-6-12(11)15/h1-7,15H
InChIKeyUUWMQDIFQJHKNE-UHFFFAOYSA-N
MW294.10 g/mol
LogP3.73
Rot. Bonds2

About 2-(4-bromophenyl)-4-nitrophenol

2-(4-bromophenyl)-4-nitrophenol (PubChem CID 15039807) has the molecular formula C12H8BrNO3 and a molecular weight of 294.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-nitrophenol.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-nitrophenol
PubChem CID15039807
Molecular FormulaC12H8BrNO3
Molecular Weight294.10 g/mol
Exact Mass292.97
IUPAC Name2-(4-bromophenyl)-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(-c2ccc(Br)cc2)c1
InChIInChI=1S/C12H8BrNO3/c13-9-3-1-8(2-4-9)11-7-10(14(16)17)5-6-12(11)15/h1-7,15H
InChIKeyUUWMQDIFQJHKNE-UHFFFAOYSA-N
XLogP3.73
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 53.73
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

ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone
CID 174903264
1-bromo-4-nitrobenzene;ethane
CID 91498714
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
2-bromo-5-nitrophenol;ethane
CID 177010307
2-(4-methylsulfonylphenyl)-5-nitrophenol
CID 139699309
azane;2,4-dinitrophenol;hydrate
CID 174664401
4-bromo-2-(2,4-dinitroanilino)phenol
CID 86702719
3-(4-bromophenyl)-5-nitro-1,2-benzoxazole
CID 803669
7,8-dihydroxy-3-(4-nitrophenyl)chromen-2-one
CID 15388824
4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one
CID 54034148
4-nitro-2-(1H-1,2,4-triazol-5-yl)phenol
CID 137048656

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-nitrophenol?
The IUPAC name of 2-(4-bromophenyl)-4-nitrophenol (CID 15039807) is 2-(4-bromophenyl)-4-nitrophenol.
What is the SMILES notation for 2-(4-bromophenyl)-4-nitrophenol?
The canonical SMILES for 2-(4-bromophenyl)-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(-c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-4-nitrophenol?
The InChIKey is UUWMQDIFQJHKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO3/c13-9-3-1-8(2-4-9)11-7-10(14(16)17)5-6-12(11)15/h1-7,15H.
What are the key properties of 2-(4-bromophenyl)-4-nitrophenol?
2-(4-bromophenyl)-4-nitrophenol has a molecular weight of 294.10 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-nitrophenol is sourced from PubChem (CID 15039807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).