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

C12H7Cl2NO3 — CID 53221696

IUPAC4-(2,3-dichlorophenyl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(-c2cccc(Cl)c2Cl)ccc1O
InChIInChI=1S/C12H7Cl2NO3/c13-9-3-1-2-8(12(9)14)7-4-5-11(16)10(6-7)15(17)18/h1-6,16H
InChIKeyNHDUVNKTCJJWJP-UHFFFAOYSA-N
MW284.10 g/mol
LogP4.27
Rot. Bonds2

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

4-(2,3-dichlorophenyl)-2-nitrophenol (PubChem CID 53221696) has the molecular formula C12H7Cl2NO3 and a molecular weight of 284.10 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-2-nitrophenol.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-2-nitrophenol
PubChem CID53221696
Molecular FormulaC12H7Cl2NO3
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name4-(2,3-dichlorophenyl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(-c2cccc(Cl)c2Cl)ccc1O
InChIInChI=1S/C12H7Cl2NO3/c13-9-3-1-2-8(12(9)14)7-4-5-11(16)10(6-7)15(17)18/h1-6,16H
InChIKeyNHDUVNKTCJJWJP-UHFFFAOYSA-N
XLogP4.27
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 54.27
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-(2,3-difluorophenyl)-2-nitrophenol
CID 53221638
2-nitro-4-phenylphenol
CID 13447
2-[5-(2,3-dichlorophenyl)-3-nitro-2-pyridinyl]acetic acid
CID 133087430
2-chloro-5-(4-hydroxy-3-nitrophenyl)benzonitrile
CID 53221678
ethane;2-nitro-4-phenylphenol
CID 142062484
3-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221609
1-chloro-2-nitrobenzene;2-nitrophenol
CID 175689577
2-chlorophenol;2-nitrophenol
CID 23467444
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
4-(furan-2-yl)-2-nitrophenol
CID 53221595
3-(2,3-dichlorophenyl)-5-nitrobenzoic acid
CID 53227665
4-(2-methylthiophen-3-yl)-2-nitrophenol
CID 53445700

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-2-nitrophenol?
The IUPAC name of 4-(2,3-dichlorophenyl)-2-nitrophenol (CID 53221696) is 4-(2,3-dichlorophenyl)-2-nitrophenol.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-2-nitrophenol?
The canonical SMILES for 4-(2,3-dichlorophenyl)-2-nitrophenol is O=[N+]([O-])c1cc(-c2cccc(Cl)c2Cl)ccc1O.
What is the InChIKey of 4-(2,3-dichlorophenyl)-2-nitrophenol?
The InChIKey is NHDUVNKTCJJWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO3/c13-9-3-1-2-8(12(9)14)7-4-5-11(16)10(6-7)15(17)18/h1-6,16H.
What are the key properties of 4-(2,3-dichlorophenyl)-2-nitrophenol?
4-(2,3-dichlorophenyl)-2-nitrophenol has a molecular weight of 284.10 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-2-nitrophenol is sourced from PubChem (CID 53221696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).