3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol

C10H10ClNO4 — CID 66345858

IUPAC3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol
SMILESO=[N+]([O-])c1ccc(Cl)c(OC2CC(O)C2)c1
InChIInChI=1S/C10H10ClNO4/c11-9-2-1-6(12(14)15)3-10(9)16-8-4-7(13)5-8/h1-3,7-8,13H,4-5H2
InChIKeyDLQOVFLQGRFDTD-UHFFFAOYSA-N
MW243.65 g/mol
LogP2.15
Rot. Bonds3

About 3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol

3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol (PubChem CID 66345858) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol
PubChem CID66345858
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol
SMILESO=[N+]([O-])c1ccc(Cl)c(OC2CC(O)C2)c1
InChIInChI=1S/C10H10ClNO4/c11-9-2-1-6(12(14)15)3-10(9)16-8-4-7(13)5-8/h1-3,7-8,13H,4-5H2
InChIKeyDLQOVFLQGRFDTD-UHFFFAOYSA-N
XLogP2.15
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 52.15
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

3-(2-chloro-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 66357280
1-amino-3-(2-chloro-5-nitrophenoxy)cyclohexane-1-carboxamide
CID 79635447
1-chloro-4-nitro-2-(trifluoromethoxy)benzene
CID 71669332
4-(2-chloro-5-nitroanilino)cyclohexan-1-ol
CID 106593945
3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79644677
3-(2-chloro-5-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66353129
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
potassium (2-chloro-5-nitrophenyl) sulfite
CID 175273368
2-(3,5-dimethylcyclohexyl)oxy-4-nitrobenzoic acid
CID 64731178
4-(2-chloro-4-nitrophenoxy)oxane
CID 177179257
3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 66352664
(2-chloro-5-nitrophenyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79410094

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol?
The IUPAC name of 3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol (CID 66345858) is 3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol.
What is the SMILES notation for 3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol?
The canonical SMILES for 3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol is O=[N+]([O-])c1ccc(Cl)c(OC2CC(O)C2)c1.
What is the InChIKey of 3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol?
The InChIKey is DLQOVFLQGRFDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c11-9-2-1-6(12(14)15)3-10(9)16-8-4-7(13)5-8/h1-3,7-8,13H,4-5H2.
What are the key properties of 3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol?
3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol has a molecular weight of 243.65 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol is sourced from PubChem (CID 66345858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).