(2-nitro-1-phenylpropyl)benzene

C15H15NO2 — CID 3349642

IUPAC(2-nitro-1-phenylpropyl)benzene
SMILESCC(C(c1ccccc1)c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C15H15NO2/c1-12(16(17)18)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3
InChIKeyREYXTZHGIGOQLV-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.48
Rot. Bonds4

About (2-nitro-1-phenylpropyl)benzene

(2-nitro-1-phenylpropyl)benzene (PubChem CID 3349642) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2-nitro-1-phenylpropyl)benzene.

Molecular Properties

Compound Name(2-nitro-1-phenylpropyl)benzene
PubChem CID3349642
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(2-nitro-1-phenylpropyl)benzene
SMILESCC(C(c1ccccc1)c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C15H15NO2/c1-12(16(17)18)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3
InChIKeyREYXTZHGIGOQLV-UHFFFAOYSA-N
XLogP3.48
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.48
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

Bulan
CID 8331
1-Nitro-2-phenylethane
CID 80208
1,1'-(2-Nitropropylidene)bis(4-chlorobenzene)
CID 8332
2-Nitro-1-phenylpropane
CID 86546
Benzene, dinitroethyl-
CID 213516
(2-Nitro-1-phenylethenyl)benzene
CID 344303
Ethane, 1,1-dinitro-2,2-diphenyl-
CID 2296060
1,1'-(2-Nitropropane-1,3-diyl)dibenzene
CID 333870
(1-Nitropropyl)benzene
CID 21349
1-Nitroethylbenzene
CID 23618
(2-Methyl-2-nitropropyl)benzene
CID 3080778
1-Methyl-4-(1-nitroethyl)benzene
CID 226079

Frequently Asked Questions

What is the IUPAC name of (2-nitro-1-phenylpropyl)benzene?
The IUPAC name of (2-nitro-1-phenylpropyl)benzene (CID 3349642) is (2-nitro-1-phenylpropyl)benzene.
What is the SMILES notation for (2-nitro-1-phenylpropyl)benzene?
The canonical SMILES for (2-nitro-1-phenylpropyl)benzene is CC(C(c1ccccc1)c1ccccc1)[N+](=O)[O-].
What is the InChIKey of (2-nitro-1-phenylpropyl)benzene?
The InChIKey is REYXTZHGIGOQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-12(16(17)18)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3.
What are the key properties of (2-nitro-1-phenylpropyl)benzene?
(2-nitro-1-phenylpropyl)benzene has a molecular weight of 241.29 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitro-1-phenylpropyl)benzene is sourced from PubChem (CID 3349642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).