4-(3-chloro-2-nitrophenyl)phenol

C12H8ClNO3 — CID 71044316

IUPAC4-(3-chloro-2-nitrophenyl)phenol
SMILESO=[N+]([O-])c1c(Cl)cccc1-c1ccc(O)cc1
InChIInChI=1S/C12H8ClNO3/c13-11-3-1-2-10(12(11)14(16)17)8-4-6-9(15)7-5-8/h1-7,15H
InChIKeyRULXNMCHIVDYEF-UHFFFAOYSA-N
MW249.65 g/mol
LogP3.62
Rot. Bonds2

About 4-(3-chloro-2-nitrophenyl)phenol

4-(3-chloro-2-nitrophenyl)phenol (PubChem CID 71044316) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 4-(3-chloro-2-nitrophenyl)phenol.

Molecular Properties

Compound Name4-(3-chloro-2-nitrophenyl)phenol
PubChem CID71044316
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name4-(3-chloro-2-nitrophenyl)phenol
SMILESO=[N+]([O-])c1c(Cl)cccc1-c1ccc(O)cc1
InChIInChI=1S/C12H8ClNO3/c13-11-3-1-2-10(12(11)14(16)17)8-4-6-9(15)7-5-8/h1-7,15H
InChIKeyRULXNMCHIVDYEF-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-nitrophenyl)phenol?
The IUPAC name of 4-(3-chloro-2-nitrophenyl)phenol (CID 71044316) is 4-(3-chloro-2-nitrophenyl)phenol.
What is the SMILES notation for 4-(3-chloro-2-nitrophenyl)phenol?
The canonical SMILES for 4-(3-chloro-2-nitrophenyl)phenol is O=[N+]([O-])c1c(Cl)cccc1-c1ccc(O)cc1.
What is the InChIKey of 4-(3-chloro-2-nitrophenyl)phenol?
The InChIKey is RULXNMCHIVDYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-11-3-1-2-10(12(11)14(16)17)8-4-6-9(15)7-5-8/h1-7,15H.
What are the key properties of 4-(3-chloro-2-nitrophenyl)phenol?
4-(3-chloro-2-nitrophenyl)phenol 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 4-(3-chloro-2-nitrophenyl)phenol is sourced from PubChem (CID 71044316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).