5-cyclopentyloxy-2,4-dinitrophenol

C11H12N2O6 — CID 139703889

IUPAC5-cyclopentyloxy-2,4-dinitrophenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(OC2CCCC2)cc1O
InChIInChI=1S/C11H12N2O6/c14-10-6-11(19-7-3-1-2-4-7)9(13(17)18)5-8(10)12(15)16/h5-7,14H,1-4H2
InChIKeyMTRRMNXDWOWCMD-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.53
Rot. Bonds4

About 5-cyclopentyloxy-2,4-dinitrophenol

5-cyclopentyloxy-2,4-dinitrophenol (PubChem CID 139703889) has the molecular formula C11H12N2O6 and a molecular weight of 268.23 g/mol. Its IUPAC name is 5-cyclopentyloxy-2,4-dinitrophenol.

Molecular Properties

Compound Name5-cyclopentyloxy-2,4-dinitrophenol
PubChem CID139703889
Molecular FormulaC11H12N2O6
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name5-cyclopentyloxy-2,4-dinitrophenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(OC2CCCC2)cc1O
InChIInChI=1S/C11H12N2O6/c14-10-6-11(19-7-3-1-2-4-7)9(13(17)18)5-8(10)12(15)16/h5-7,14H,1-4H2
InChIKeyMTRRMNXDWOWCMD-UHFFFAOYSA-N
XLogP2.53
TPSA115.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-(5-hydroxy-2,4-dinitrophenoxy)-2,4-dinitrophenol
CID 102273145
(5-chloro-2-nitrophenoxy)cycloheptane
CID 82935207
4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide
CID 43342380
4-bromo-1-cyclobutyloxy-2-nitrobenzene
CID 62141791
2-chloro-4-cyclopentyloxy-5-nitropyridine
CID 170737664
[5-(bromomethyl)-2-nitrophenoxy]cycloheptane
CID 82928233
4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934909
2-cyclopentyloxy-4-(3-nitrophenyl)phenol
CID 18778849
4-cyclopentyloxy-5-methoxy-2-nitrobenzoic acid
CID 43311662
5-cyclopropyloxy-2-fluoro-4-nitrobenzoic acid
CID 170396033
1-(3-cyclohexyloxy-4-nitrophenyl)-N-methylmethanamine
CID 62115686
5-cyclobutyloxy-4-fluoro-2-nitrobenzoic acid
CID 62116825

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyloxy-2,4-dinitrophenol?
The IUPAC name of 5-cyclopentyloxy-2,4-dinitrophenol (CID 139703889) is 5-cyclopentyloxy-2,4-dinitrophenol.
What is the SMILES notation for 5-cyclopentyloxy-2,4-dinitrophenol?
The canonical SMILES for 5-cyclopentyloxy-2,4-dinitrophenol is O=[N+]([O-])c1cc([N+](=O)[O-])c(OC2CCCC2)cc1O.
What is the InChIKey of 5-cyclopentyloxy-2,4-dinitrophenol?
The InChIKey is MTRRMNXDWOWCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6/c14-10-6-11(19-7-3-1-2-4-7)9(13(17)18)5-8(10)12(15)16/h5-7,14H,1-4H2.
What are the key properties of 5-cyclopentyloxy-2,4-dinitrophenol?
5-cyclopentyloxy-2,4-dinitrophenol has a molecular weight of 268.23 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyloxy-2,4-dinitrophenol is sourced from PubChem (CID 139703889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).