2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol

C14H11ClFNO4 — CID 110885131

IUPAC2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCC(O)c1ccccc1F
InChIInChI=1S/C14H11ClFNO4/c15-9-5-6-14(12(7-9)17(19)20)21-8-13(18)10-3-1-2-4-11(10)16/h1-7,13,18H,8H2
InChIKeyVDUGKZZVQHBHLM-UHFFFAOYSA-N
MW311.70 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol

2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol (PubChem CID 110885131) has the molecular formula C14H11ClFNO4 and a molecular weight of 311.70 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol
PubChem CID110885131
Molecular FormulaC14H11ClFNO4
Molecular Weight311.70 g/mol
Exact Mass311.04
IUPAC Name2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCC(O)c1ccccc1F
InChIInChI=1S/C14H11ClFNO4/c15-9-5-6-14(12(7-9)17(19)20)21-8-13(18)10-3-1-2-4-11(10)16/h1-7,13,18H,8H2
InChIKeyVDUGKZZVQHBHLM-UHFFFAOYSA-N
XLogP3.50
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 53.50
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

1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol
CID 110885135
1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol
CID 109412945
(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol
CID 106933009
2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol
CID 111440124
2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
3-(4-chloro-2-nitrophenoxy)propan-1-ol
CID 43509924
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645
1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109415104
4-chloro-1-(2-methylprop-2-enoxy)-2-nitrobenzene
CID 46850457
(4-chloro-2-nitrophenyl) 2-phenoxyacetate
CID 4287531
1-(2,5-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412674

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol (CID 110885131) is 2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol is O=[N+]([O-])c1cc(Cl)ccc1OCC(O)c1ccccc1F.
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol?
The InChIKey is VDUGKZZVQHBHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4/c15-9-5-6-14(12(7-9)17(19)20)21-8-13(18)10-3-1-2-4-11(10)16/h1-7,13,18H,8H2.
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol?
2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol has a molecular weight of 311.70 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 110885131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).