1-(2-nitrophenoxy)-2-propylbenzene

C15H15NO3 — CID 38113680

IUPAC1-(2-nitrophenoxy)-2-propylbenzene
SMILESCCCc1ccccc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H15NO3/c1-2-7-12-8-3-5-10-14(12)19-15-11-6-4-9-13(15)16(17)18/h3-6,8-11H,2,7H2,1H3
InChIKeyWWURRVAZCXXCBT-UHFFFAOYSA-N
MW257.29 g/mol
LogP4.34
Rot. Bonds5

About 1-(2-nitrophenoxy)-2-propylbenzene

1-(2-nitrophenoxy)-2-propylbenzene (PubChem CID 38113680) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(2-nitrophenoxy)-2-propylbenzene.

Molecular Properties

Compound Name1-(2-nitrophenoxy)-2-propylbenzene
PubChem CID38113680
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-(2-nitrophenoxy)-2-propylbenzene
SMILESCCCc1ccccc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H15NO3/c1-2-7-12-8-3-5-10-14(12)19-15-11-6-4-9-13(15)16(17)18/h3-6,8-11H,2,7H2,1H3
InChIKeyWWURRVAZCXXCBT-UHFFFAOYSA-N
XLogP4.34
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 54.34
H-Bond Donors ≤ 50
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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Related Compounds

[2-(2-nitrophenoxy)phenyl]methanol
CID 54915252
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
(1S)-1-[2-(2-nitrophenoxy)phenyl]propan-1-amine
CID 103739059
2-(2-nitrophenoxy)benzoic acid
CID 19922477
6-(2-nitrophenoxy)-2-propylpyrimidin-4-amine
CID 80950579
1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone
CID 9282374
1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393
[2-(4-methyl-2-nitrophenoxy)phenyl]methanol
CID 61311271
[2-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 54915748
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenoxy)-2-propylbenzene?
The IUPAC name of 1-(2-nitrophenoxy)-2-propylbenzene (CID 38113680) is 1-(2-nitrophenoxy)-2-propylbenzene.
What is the SMILES notation for 1-(2-nitrophenoxy)-2-propylbenzene?
The canonical SMILES for 1-(2-nitrophenoxy)-2-propylbenzene is CCCc1ccccc1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenoxy)-2-propylbenzene?
The InChIKey is WWURRVAZCXXCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-7-12-8-3-5-10-14(12)19-15-11-6-4-9-13(15)16(17)18/h3-6,8-11H,2,7H2,1H3.
What are the key properties of 1-(2-nitrophenoxy)-2-propylbenzene?
1-(2-nitrophenoxy)-2-propylbenzene has a molecular weight of 257.29 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenoxy)-2-propylbenzene is sourced from PubChem (CID 38113680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).