(4-nitrophenyl) 4-phenylbenzoate

C19H13NO4 — CID 788881

IUPAC(4-nitrophenyl) 4-phenylbenzoate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H13NO4/c21-19(24-18-12-10-17(11-13-18)20(22)23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
InChIKeyBCHPTAXOHHMTJW-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.48
Rot. Bonds4

About (4-nitrophenyl) 4-phenylbenzoate

(4-nitrophenyl) 4-phenylbenzoate (PubChem CID 788881) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is (4-nitrophenyl) 4-phenylbenzoate.

Molecular Properties

Compound Name(4-nitrophenyl) 4-phenylbenzoate
PubChem CID788881
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name(4-nitrophenyl) 4-phenylbenzoate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H13NO4/c21-19(24-18-12-10-17(11-13-18)20(22)23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
InChIKeyBCHPTAXOHHMTJW-UHFFFAOYSA-N
XLogP4.48
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-benzoylphenyl) 4-nitrobenzoate
CID 2678928
guanidine;(4-nitrophenyl) benzoate
CID 68771606
[4-(4-hydroxy-3-nitrophenyl)phenyl] benzoate
CID 22922925
(4-nitrophenyl)methyl 4-phenylbenzoate
CID 2418222
[4-[(4-nitrophenoxy)carbonyloxymethyl]phenyl] benzoate
CID 155140389
[4-[methyl(phenyl)sulfamoyl]phenyl] 4-nitrobenzoate
CID 139645113
[2-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] 4-nitrobenzoate
CID 6124900
ethane;(4-nitrophenyl) 4-phenylsulfinamoylbenzoate
CID 143832405
(4-nitrophenyl) 4-ethoxycarbonyloxybenzoate
CID 139788596
[4-(hydroxyiminomethyl)phenyl] 4-nitrobenzoate
CID 23822226
[4-[(Z)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenyl] 4-nitrobenzoate
CID 7269119
(4-phenylphenyl) 4-(trifluoromethoxy)benzoate
CID 7926515

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) 4-phenylbenzoate?
The IUPAC name of (4-nitrophenyl) 4-phenylbenzoate (CID 788881) is (4-nitrophenyl) 4-phenylbenzoate.
What is the SMILES notation for (4-nitrophenyl) 4-phenylbenzoate?
The canonical SMILES for (4-nitrophenyl) 4-phenylbenzoate is O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-nitrophenyl) 4-phenylbenzoate?
The InChIKey is BCHPTAXOHHMTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-19(24-18-12-10-17(11-13-18)20(22)23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H.
What are the key properties of (4-nitrophenyl) 4-phenylbenzoate?
(4-nitrophenyl) 4-phenylbenzoate has a molecular weight of 319.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) 4-phenylbenzoate is sourced from PubChem (CID 788881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).