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

C15H14FNO5 — CID 110885135

IUPAC1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol
SMILESCOc1ccc(OCC(O)c2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14FNO5/c1-21-10-6-7-15(13(8-10)17(19)20)22-9-14(18)11-4-2-3-5-12(11)16/h2-8,14,18H,9H2,1H3
InChIKeyFNGITSQOMVFWIB-UHFFFAOYSA-N
MW307.28 g/mol
LogP2.85
Rot. Bonds6

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

1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol (PubChem CID 110885135) has the molecular formula C15H14FNO5 and a molecular weight of 307.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol
PubChem CID110885135
Molecular FormulaC15H14FNO5
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol
SMILESCOc1ccc(OCC(O)c2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14FNO5/c1-21-10-6-7-15(13(8-10)17(19)20)22-9-14(18)11-4-2-3-5-12(11)16/h2-8,14,18H,9H2,1H3
InChIKeyFNGITSQOMVFWIB-UHFFFAOYSA-N
XLogP2.85
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885131
1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol
CID 109412945
1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
CID 110017843
2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine
CID 63773458
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647
2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol
CID 103865817
3,3,3-trifluoro-2-[(4-methoxy-2-nitrophenoxy)methyl]propanenitrile
CID 103368358
2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 110907757
1-(2,5-difluorophenyl)-2-(2-methoxy-4-nitrophenoxy)ethanol
CID 109415751
2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 109414968
(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201808
1-(2,6-difluorophenyl)-2-(2-methoxy-4-nitrophenoxy)ethanol
CID 109415750

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol (CID 110885135) is 1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol is COc1ccc(OCC(O)c2ccccc2F)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol?
The InChIKey is FNGITSQOMVFWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5/c1-21-10-6-7-15(13(8-10)17(19)20)22-9-14(18)11-4-2-3-5-12(11)16/h2-8,14,18H,9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol?
1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol has a molecular weight of 307.28 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol is sourced from PubChem (CID 110885135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).