1-cyclopentyloxy-4-nitrobenzene

C11H13NO3 — CID 19616619

IUPAC1-cyclopentyloxy-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C11H13NO3/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyVXICHIXNGDQYGT-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.92
Rot. Bonds3

About 1-cyclopentyloxy-4-nitrobenzene

1-cyclopentyloxy-4-nitrobenzene (PubChem CID 19616619) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-cyclopentyloxy-4-nitrobenzene.

Molecular Properties

Compound Name1-cyclopentyloxy-4-nitrobenzene
PubChem CID19616619
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-cyclopentyloxy-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C11H13NO3/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyVXICHIXNGDQYGT-UHFFFAOYSA-N
XLogP2.92
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.92
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

1,5-bis(4-nitrophenoxy)cyclooctane
CID 9437151
4-(4-nitrophenoxy)oxane
CID 118705229
4-(4-nitrophenoxy)piperidine;hydrochloride
CID 22591401
N,N-dimethyl-4-(4-nitrophenoxy)cyclohexan-1-amine
CID 176696770
1-(2-chlorocyclohexyl)oxy-4-nitrobenzene
CID 70179817
(2R)-2-(4-nitrophenoxy)oxane
CID 101172898
1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane
CID 161101282
N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine
CID 102634472
2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
N-[(4-cyclohexyloxyphenyl)methyl]-3,5-dinitrobenzamide
CID 60615000
N-(4-cyclopentyloxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 35548357
(2S)-2-amino-1-[4-(4-nitrophenoxy)piperidin-1-yl]propan-1-one
CID 119334478

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-4-nitrobenzene?
The IUPAC name of 1-cyclopentyloxy-4-nitrobenzene (CID 19616619) is 1-cyclopentyloxy-4-nitrobenzene.
What is the SMILES notation for 1-cyclopentyloxy-4-nitrobenzene?
The canonical SMILES for 1-cyclopentyloxy-4-nitrobenzene is O=[N+]([O-])c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyloxy-4-nitrobenzene?
The InChIKey is VXICHIXNGDQYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10H,1-4H2.
What are the key properties of 1-cyclopentyloxy-4-nitrobenzene?
1-cyclopentyloxy-4-nitrobenzene has a molecular weight of 207.23 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-4-nitrobenzene is sourced from PubChem (CID 19616619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).