2-(3-nitrophenoxy)cyclopentan-1-ol

C11H13NO4 — CID 60878979

IUPAC2-(3-nitrophenoxy)cyclopentan-1-ol
SMILESO=[N+]([O-])c1cccc(OC2CCCC2O)c1
InChIInChI=1S/C11H13NO4/c13-10-5-2-6-11(10)16-9-4-1-3-8(7-9)12(14)15/h1,3-4,7,10-11,13H,2,5-6H2
InChIKeyDILHHWUESATYNX-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.89
Rot. Bonds3

About 2-(3-nitrophenoxy)cyclopentan-1-ol

2-(3-nitrophenoxy)cyclopentan-1-ol (PubChem CID 60878979) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(3-nitrophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(3-nitrophenoxy)cyclopentan-1-ol
PubChem CID60878979
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(3-nitrophenoxy)cyclopentan-1-ol
SMILESO=[N+]([O-])c1cccc(OC2CCCC2O)c1
InChIInChI=1S/C11H13NO4/c13-10-5-2-6-11(10)16-9-4-1-3-8(7-9)12(14)15/h1,3-4,7,10-11,13H,2,5-6H2
InChIKeyDILHHWUESATYNX-UHFFFAOYSA-N
XLogP1.89
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
ethane;4-(3-nitrophenoxy)piperidine
CID 156721949
2-(4-methoxy-3-nitrophenoxy)cyclopentan-1-ol
CID 103202112
trans-(1S,2S)-2-(2-methoxy-5-nitrophenoxy)cyclohexan-1-ol
CID 102732545
trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol
CID 102732469
2-(3-chlorophenoxy)cyclohexan-1-ol
CID 60880666
2-[3-(dimethylamino)phenoxy]cyclopentan-1-ol
CID 61229092
methyl (3R,4S)-4-(3-nitrophenoxy)pyrrolidine-3-carboxylate
CID 142424397
(3-nitrophenyl) bicyclo[4.1.0]heptane-7-carboxylate
CID 2827911
2-ethoxy-3-(3-nitrophenoxy)cyclobutan-1-one
CID 113439855
1-(cyclohexylmethoxy)-3-nitrobenzene
CID 112800827

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenoxy)cyclopentan-1-ol?
The IUPAC name of 2-(3-nitrophenoxy)cyclopentan-1-ol (CID 60878979) is 2-(3-nitrophenoxy)cyclopentan-1-ol.
What is the SMILES notation for 2-(3-nitrophenoxy)cyclopentan-1-ol?
The canonical SMILES for 2-(3-nitrophenoxy)cyclopentan-1-ol is O=[N+]([O-])c1cccc(OC2CCCC2O)c1.
What is the InChIKey of 2-(3-nitrophenoxy)cyclopentan-1-ol?
The InChIKey is DILHHWUESATYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-10-5-2-6-11(10)16-9-4-1-3-8(7-9)12(14)15/h1,3-4,7,10-11,13H,2,5-6H2.
What are the key properties of 2-(3-nitrophenoxy)cyclopentan-1-ol?
2-(3-nitrophenoxy)cyclopentan-1-ol has a molecular weight of 223.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 60878979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).