1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol

C14H12FNO4 — CID 104831899

IUPAC1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2c(F)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12FNO4/c1-9(17)10-5-7-11(8-6-10)20-14-12(15)3-2-4-13(14)16(18)19/h2-9,17H,1H3
InChIKeyHZWFZRUOHKXVKC-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.58
Rot. Bonds4

About 1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol

1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol (PubChem CID 104831899) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
PubChem CID104831899
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2c(F)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12FNO4/c1-9(17)10-5-7-11(8-6-10)20-14-12(15)3-2-4-13(14)16(18)19/h2-9,17H,1H3
InChIKeyHZWFZRUOHKXVKC-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-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol
CID 107717274
(1R)-1-[3-bromo-4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831905
(1S)-1-[3-chloro-4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831920
1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 104831856
(1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol
CID 107349867
(2-fluoro-6-nitrophenyl) methyl carbonate
CID 67247258
(1S)-1-[4-(5-chloro-2-nitrophenoxy)phenyl]ethanol
CID 63374746
1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol
CID 61031657
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806
1-[2-(2-fluoro-6-nitrophenoxy)phenyl]propan-1-one
CID 104831813
1-fluoro-2-nitro-3-(4-propan-2-ylphenoxy)benzene
CID 62662926
(1R)-1-[4-(3-fluorophenoxy)-3-nitrophenyl]ethanol
CID 63372353

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol?
The IUPAC name of 1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol (CID 104831899) is 1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol is CC(O)c1ccc(Oc2c(F)cccc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol?
The InChIKey is HZWFZRUOHKXVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-9(17)10-5-7-11(8-6-10)20-14-12(15)3-2-4-13(14)16(18)19/h2-9,17H,1H3.
What are the key properties of 1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol?
1-[4-(2-fluoro-6-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-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 104831899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).