1-(2-cyclopropylethoxy)-4-nitrobenzene

C11H13NO3 — CID 67453725

IUPAC1-(2-cyclopropylethoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCCC2CC2)cc1
InChIInChI=1S/C11H13NO3/c13-12(14)10-3-5-11(6-4-10)15-8-7-9-1-2-9/h3-6,9H,1-2,7-8H2
InChIKeyLCHZIKKHLQVGQD-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.77
Rot. Bonds5

About 1-(2-cyclopropylethoxy)-4-nitrobenzene

1-(2-cyclopropylethoxy)-4-nitrobenzene (PubChem CID 67453725) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(2-cyclopropylethoxy)-4-nitrobenzene.

Molecular Properties

Compound Name1-(2-cyclopropylethoxy)-4-nitrobenzene
PubChem CID67453725
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-(2-cyclopropylethoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCCC2CC2)cc1
InChIInChI=1S/C11H13NO3/c13-12(14)10-3-5-11(6-4-10)15-8-7-9-1-2-9/h3-6,9H,1-2,7-8H2
InChIKeyLCHZIKKHLQVGQD-UHFFFAOYSA-N
XLogP2.77
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.77
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

(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
2-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-one
CID 79564898
4-(2-cyclopropylethoxy)-2-nitrobenzonitrile
CID 114157445
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
cis-(1R,3S)-3-[(4-nitrophenoxy)methyl]cyclopentan-1-amine
CID 11962957
(4S)-4-[2-(4-nitrophenoxy)ethyl]-1,3-dioxolan-2-one
CID 58868521
1-(3-iodopropoxy)-4-nitrobenzene
CID 15675890
2-[4-(4-nitrophenoxy)butoxy]oxane
CID 86179087
1-(4-bromobutoxy)-4-nitrobenzene
CID 2063669
3-(4-nitrophenoxy)propanoate
CID 6993075
3-(4-nitrophenoxy)propane-1-sulfonic acid
CID 3017110
1-nitro-4-octadecoxybenzene
CID 4258205

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethoxy)-4-nitrobenzene?
The IUPAC name of 1-(2-cyclopropylethoxy)-4-nitrobenzene (CID 67453725) is 1-(2-cyclopropylethoxy)-4-nitrobenzene.
What is the SMILES notation for 1-(2-cyclopropylethoxy)-4-nitrobenzene?
The canonical SMILES for 1-(2-cyclopropylethoxy)-4-nitrobenzene is O=[N+]([O-])c1ccc(OCCC2CC2)cc1.
What is the InChIKey of 1-(2-cyclopropylethoxy)-4-nitrobenzene?
The InChIKey is LCHZIKKHLQVGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-12(14)10-3-5-11(6-4-10)15-8-7-9-1-2-9/h3-6,9H,1-2,7-8H2.
What are the key properties of 1-(2-cyclopropylethoxy)-4-nitrobenzene?
1-(2-cyclopropylethoxy)-4-nitrobenzene has a molecular weight of 207.23 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethoxy)-4-nitrobenzene is sourced from PubChem (CID 67453725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).