5-(4-chlorophenyl)-2-nitrophenol

C12H8ClNO3 — CID 165357612

IUPAC5-(4-chlorophenyl)-2-nitrophenol
SMILESO=[N+]([O-])c1ccc(-c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C12H8ClNO3/c13-10-4-1-8(2-5-10)9-3-6-11(14(16)17)12(15)7-9/h1-7,15H
InChIKeyVWFPEOPENMTZMT-UHFFFAOYSA-N
MW249.65 g/mol
LogP3.62
Rot. Bonds2

About 5-(4-chlorophenyl)-2-nitrophenol

5-(4-chlorophenyl)-2-nitrophenol (PubChem CID 165357612) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-nitrophenol.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-nitrophenol
PubChem CID165357612
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name5-(4-chlorophenyl)-2-nitrophenol
SMILESO=[N+]([O-])c1ccc(-c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C12H8ClNO3/c13-10-4-1-8(2-5-10)9-3-6-11(14(16)17)12(15)7-9/h1-7,15H
InChIKeyVWFPEOPENMTZMT-UHFFFAOYSA-N
XLogP3.62
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 53.62
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

4-(4-chlorophenyl)-2-nitroaniline
CID 10776983
4-(3,4-difluorophenyl)-2-nitrophenol
CID 53221636
2-nitro-5-sulfanylphenol
CID 57204619
2-nitro-4-phenylphenol
CID 13447
N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
CID 103604547
4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide
CID 51712109
CID 58762875
CID 58762875
ethane;2-nitro-4-phenylphenol
CID 142062484
N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide
CID 102741114
2-(4-chlorophenyl)-5-nitrobenzoic acid
CID 68803337
3-chloro-4-nitrobenzene-1,2-diol
CID 68960315
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-nitrophenol?
The IUPAC name of 5-(4-chlorophenyl)-2-nitrophenol (CID 165357612) is 5-(4-chlorophenyl)-2-nitrophenol.
What is the SMILES notation for 5-(4-chlorophenyl)-2-nitrophenol?
The canonical SMILES for 5-(4-chlorophenyl)-2-nitrophenol is O=[N+]([O-])c1ccc(-c2ccc(Cl)cc2)cc1O.
What is the InChIKey of 5-(4-chlorophenyl)-2-nitrophenol?
The InChIKey is VWFPEOPENMTZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-10-4-1-8(2-5-10)9-3-6-11(14(16)17)12(15)7-9/h1-7,15H.
What are the key properties of 5-(4-chlorophenyl)-2-nitrophenol?
5-(4-chlorophenyl)-2-nitrophenol has a molecular weight of 249.65 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-nitrophenol is sourced from PubChem (CID 165357612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).