2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol

C11H11Cl2NO4 — CID 107501246

IUPAC2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1OC1CCCC1O
InChIInChI=1S/C11H11Cl2NO4/c12-6-4-8(14(16)17)11(5-7(6)13)18-10-3-1-2-9(10)15/h4-5,9-10,15H,1-3H2
InChIKeyQBQYAAGPSRCWFY-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.19
Rot. Bonds3

About 2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol

2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol (PubChem CID 107501246) has the molecular formula C11H11Cl2NO4 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol
PubChem CID107501246
Molecular FormulaC11H11Cl2NO4
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1OC1CCCC1O
InChIInChI=1S/C11H11Cl2NO4/c12-6-4-8(14(16)17)11(5-7(6)13)18-10-3-1-2-9(10)15/h4-5,9-10,15H,1-3H2
InChIKeyQBQYAAGPSRCWFY-UHFFFAOYSA-N
XLogP3.19
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.19
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-(1S,2S)-2-(2,4-dimethyl-5-nitrophenoxy)cyclopentan-1-ol
CID 114088176
2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol
CID 60879534
2-[4-(hydroxymethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60884404
4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-nitrobenzonitrile
CID 102735480
trans-(1R,2R)-2-[2-nitro-4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 102735560
2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol
CID 60728681
2-(4-methoxy-3-nitrophenoxy)cyclopentan-1-ol
CID 103202112
2-(4-nitronaphthalen-1-yl)oxycyclopentan-1-ol
CID 63690282
2-[4-(methylaminomethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60881807
trans-(1S,2S)-2-(2,4-dimethyl-6-nitrophenoxy)cyclopentan-1-ol
CID 102735489
2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol
CID 114417732
2-(4-bromo-2-methyl-6-nitrophenoxy)cyclopentan-1-ol
CID 79843253

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol?
The IUPAC name of 2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol (CID 107501246) is 2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol.
What is the SMILES notation for 2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol?
The canonical SMILES for 2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol is O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC1CCCC1O.
What is the InChIKey of 2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol?
The InChIKey is QBQYAAGPSRCWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4/c12-6-4-8(14(16)17)11(5-7(6)13)18-10-3-1-2-9(10)15/h4-5,9-10,15H,1-3H2.
What are the key properties of 2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol?
2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol has a molecular weight of 292.12 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 107501246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).