2-cyclopropyloxy-1-ethyl-4-nitrobenzene

C11H13NO3 — CID 59026367

IUPAC2-cyclopropyloxy-1-ethyl-4-nitrobenzene
SMILESCCc1ccc([N+](=O)[O-])cc1OC1CC1
InChIInChI=1S/C11H13NO3/c1-2-8-3-4-9(12(13)14)7-11(8)15-10-5-6-10/h3-4,7,10H,2,5-6H2,1H3
InChIKeyAEOSHCIRHVHKON-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.70
Rot. Bonds4

About 2-cyclopropyloxy-1-ethyl-4-nitrobenzene

2-cyclopropyloxy-1-ethyl-4-nitrobenzene (PubChem CID 59026367) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-cyclopropyloxy-1-ethyl-4-nitrobenzene.

Molecular Properties

Compound Name2-cyclopropyloxy-1-ethyl-4-nitrobenzene
PubChem CID59026367
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-cyclopropyloxy-1-ethyl-4-nitrobenzene
SMILESCCc1ccc([N+](=O)[O-])cc1OC1CC1
InChIInChI=1S/C11H13NO3/c1-2-8-3-4-9(12(13)14)7-11(8)15-10-5-6-10/h3-4,7,10H,2,5-6H2,1H3
InChIKeyAEOSHCIRHVHKON-UHFFFAOYSA-N
XLogP2.70
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.70
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

N-[(2-cyclohexyloxy-4-nitrophenyl)methyl]butanamide
CID 141225863
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
CID 43472722
[2-(4-methylcyclohexyl)oxy-5-nitrophenyl]methanamine
CID 64750029
1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
CID 43472649
[2-(bromomethyl)-4-nitrophenoxy]cycloheptane
CID 82928848
N-(2-cyclohexyloxy-4-nitrophenyl)acetamide
CID 46830015
N-methyl-1-[5-nitro-2-(oxan-4-yloxy)phenyl]methanamine
CID 63937221
sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CID 67863952
2-cyclohexyloxy-5-nitrobenzonitrile
CID 22227856
2-cyclobutyloxy-N,N-dimethyl-5-nitroaniline
CID 170769157
1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene
CID 159333833
2-(4-methylcyclohexyl)oxy-5-nitrobenzoic acid
CID 43184670

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxy-1-ethyl-4-nitrobenzene?
The IUPAC name of 2-cyclopropyloxy-1-ethyl-4-nitrobenzene (CID 59026367) is 2-cyclopropyloxy-1-ethyl-4-nitrobenzene.
What is the SMILES notation for 2-cyclopropyloxy-1-ethyl-4-nitrobenzene?
The canonical SMILES for 2-cyclopropyloxy-1-ethyl-4-nitrobenzene is CCc1ccc([N+](=O)[O-])cc1OC1CC1.
What is the InChIKey of 2-cyclopropyloxy-1-ethyl-4-nitrobenzene?
The InChIKey is AEOSHCIRHVHKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-8-3-4-9(12(13)14)7-11(8)15-10-5-6-10/h3-4,7,10H,2,5-6H2,1H3.
What are the key properties of 2-cyclopropyloxy-1-ethyl-4-nitrobenzene?
2-cyclopropyloxy-1-ethyl-4-nitrobenzene has a molecular weight of 207.23 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxy-1-ethyl-4-nitrobenzene is sourced from PubChem (CID 59026367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).