4-(2-nitrophenyl)phenol

C12H9NO3 — CID 15541112

IUPAC4-(2-nitrophenyl)phenol
SMILESO=[N+]([O-])c1ccccc1-c1ccc(O)cc1
InChIInChI=1S/C12H9NO3/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8,14H
InChIKeyNRRCMTITSCFYOH-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.97
Rot. Bonds2

About 4-(2-nitrophenyl)phenol

4-(2-nitrophenyl)phenol (PubChem CID 15541112) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-(2-nitrophenyl)phenol.

Molecular Properties

Compound Name4-(2-nitrophenyl)phenol
PubChem CID15541112
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name4-(2-nitrophenyl)phenol
SMILESO=[N+]([O-])c1ccccc1-c1ccc(O)cc1
InChIInChI=1S/C12H9NO3/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8,14H
InChIKeyNRRCMTITSCFYOH-UHFFFAOYSA-N
XLogP2.97
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.97
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-(2-nitrophenyl)phenol?
The IUPAC name of 4-(2-nitrophenyl)phenol (CID 15541112) is 4-(2-nitrophenyl)phenol.
What is the SMILES notation for 4-(2-nitrophenyl)phenol?
The canonical SMILES for 4-(2-nitrophenyl)phenol is O=[N+]([O-])c1ccccc1-c1ccc(O)cc1.
What is the InChIKey of 4-(2-nitrophenyl)phenol?
The InChIKey is NRRCMTITSCFYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8,14H.
What are the key properties of 4-(2-nitrophenyl)phenol?
4-(2-nitrophenyl)phenol has a molecular weight of 215.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)phenol is sourced from PubChem (CID 15541112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).