4-nitro-2,6-diphenylphenol

C18H13NO3 — CID 625985

IUPAC4-nitro-2,6-diphenylphenol
SMILESO=[N+]([O-])c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C18H13NO3/c20-18-16(13-7-3-1-4-8-13)11-15(19(21)22)12-17(18)14-9-5-2-6-10-14/h1-12,20H
InChIKeyYCXQKJXTGDYKIO-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.63
Rot. Bonds3

About 4-nitro-2,6-diphenylphenol

4-nitro-2,6-diphenylphenol (PubChem CID 625985) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-nitro-2,6-diphenylphenol.

Molecular Properties

Compound Name4-nitro-2,6-diphenylphenol
PubChem CID625985
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name4-nitro-2,6-diphenylphenol
SMILESO=[N+]([O-])c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C18H13NO3/c20-18-16(13-7-3-1-4-8-13)11-15(19(21)22)12-17(18)14-9-5-2-6-10-14/h1-12,20H
InChIKeyYCXQKJXTGDYKIO-UHFFFAOYSA-N
XLogP4.63
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.63
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-nitro-2,6-diphenylphenol?
The IUPAC name of 4-nitro-2,6-diphenylphenol (CID 625985) is 4-nitro-2,6-diphenylphenol.
What is the SMILES notation for 4-nitro-2,6-diphenylphenol?
The canonical SMILES for 4-nitro-2,6-diphenylphenol is O=[N+]([O-])c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.
What is the InChIKey of 4-nitro-2,6-diphenylphenol?
The InChIKey is YCXQKJXTGDYKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-18-16(13-7-3-1-4-8-13)11-15(19(21)22)12-17(18)14-9-5-2-6-10-14/h1-12,20H.
What are the key properties of 4-nitro-2,6-diphenylphenol?
4-nitro-2,6-diphenylphenol has a molecular weight of 291.31 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2,6-diphenylphenol is sourced from PubChem (CID 625985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).