4-nitro-2-phenyl-1-propan-2-ylbenzene

C15H15NO2 — CID 71283713

IUPAC4-nitro-2-phenyl-1-propan-2-ylbenzene
SMILESCC(C)c1ccc([N+](=O)[O-])cc1-c1ccccc1
InChIInChI=1S/C15H15NO2/c1-11(2)14-9-8-13(16(17)18)10-15(14)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyFFEXPYCQYDTWTR-UHFFFAOYSA-N
MW241.29 g/mol
LogP4.39
Rot. Bonds3

About 4-nitro-2-phenyl-1-propan-2-ylbenzene

4-nitro-2-phenyl-1-propan-2-ylbenzene (PubChem CID 71283713) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-nitro-2-phenyl-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-nitro-2-phenyl-1-propan-2-ylbenzene
PubChem CID71283713
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-nitro-2-phenyl-1-propan-2-ylbenzene
SMILESCC(C)c1ccc([N+](=O)[O-])cc1-c1ccccc1
InChIInChI=1S/C15H15NO2/c1-11(2)14-9-8-13(16(17)18)10-15(14)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyFFEXPYCQYDTWTR-UHFFFAOYSA-N
XLogP4.39
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-nitro-2-phenylphenyl)boronic acid
CID 150240507
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
(5-nitro-2-propan-2-ylphenyl)methanol
CID 118268647
2-(bromomethyl)-4-nitro-1-phenylbenzene
CID 14317417
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
4-nitro-1-[(4-nitro-2-phenylphenyl)methoxymethyl]-2-phenylbenzene
CID 88772999
1-chloro-4-nitro-2-propan-2-ylbenzene
CID 21051004
ethane;1-methyl-4-nitro-2-propan-2-ylbenzene
CID 143798410
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene
CID 141390803
(4-nitro-2-phenylphenyl) hydrogen carbonate
CID 53438460
4-nitro-3-phenyl-5-propan-2-ylbenzoate
CID 21487421

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-phenyl-1-propan-2-ylbenzene?
The IUPAC name of 4-nitro-2-phenyl-1-propan-2-ylbenzene (CID 71283713) is 4-nitro-2-phenyl-1-propan-2-ylbenzene.
What is the SMILES notation for 4-nitro-2-phenyl-1-propan-2-ylbenzene?
The canonical SMILES for 4-nitro-2-phenyl-1-propan-2-ylbenzene is CC(C)c1ccc([N+](=O)[O-])cc1-c1ccccc1.
What is the InChIKey of 4-nitro-2-phenyl-1-propan-2-ylbenzene?
The InChIKey is FFEXPYCQYDTWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11(2)14-9-8-13(16(17)18)10-15(14)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 4-nitro-2-phenyl-1-propan-2-ylbenzene?
4-nitro-2-phenyl-1-propan-2-ylbenzene has a molecular weight of 241.29 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-phenyl-1-propan-2-ylbenzene is sourced from PubChem (CID 71283713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).