1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol

C14H12FNO4 — CID 61031657

IUPAC1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol
SMILESCC(O)c1c(F)cccc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FNO4/c1-9(17)14-10(15)5-4-8-13(14)20-12-7-3-2-6-11(12)16(18)19/h2-9,17H,1H3
InChIKeyAIFVYXRIUFYXGR-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.58
Rot. Bonds4

About 1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol

1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol (PubChem CID 61031657) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol
PubChem CID61031657
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol
SMILESCC(O)c1c(F)cccc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FNO4/c1-9(17)14-10(15)5-4-8-13(14)20-12-7-3-2-6-11(12)16(18)19/h2-9,17H,1H3
InChIKeyAIFVYXRIUFYXGR-UHFFFAOYSA-N
XLogP3.58
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.58
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-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61312027
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol
CID 61032421
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506529
(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941712
1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367853
2-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941465
1-(2-fluoro-6-naphthalen-1-yloxyphenyl)ethanol
CID 43506509
(1S)-1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937798
1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 61030650

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol (CID 61031657) is 1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol is CC(O)c1c(F)cccc1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol?
The InChIKey is AIFVYXRIUFYXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-9(17)14-10(15)5-4-8-13(14)20-12-7-3-2-6-11(12)16(18)19/h2-9,17H,1H3.
What are the key properties of 1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol?
1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol has a molecular weight of 277.25 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 61031657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).