(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol

C14H12FNO4 — CID 78941827

IUPAC(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FNO4/c1-9(17)11-8-10(15)6-7-13(11)20-14-5-3-2-4-12(14)16(18)19/h2-9,17H,1H3/t9-/m0/s1
InChIKeyVISIXFOJHYEVQT-VIFPVBQESA-N
MW277.25 g/mol
LogP3.58
Rot. Bonds4

About (1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol

(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol (PubChem CID 78941827) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
PubChem CID78941827
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FNO4/c1-9(17)11-8-10(15)6-7-13(11)20-14-5-3-2-4-12(14)16(18)19/h2-9,17H,1H3/t9-/m0/s1
InChIKeyVISIXFOJHYEVQT-VIFPVBQESA-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

(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530
1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol
CID 61031418
1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 61032159
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 63370153
(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 107717355
(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 81495973
1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61038303
1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol
CID 61031657
(1R)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 78941825
(1S)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 63374737
2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
CID 9112165
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol (CID 78941827) is (1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol is C[C@H](O)c1cc(F)ccc1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of (1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol?
The InChIKey is VISIXFOJHYEVQT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12FNO4/c1-9(17)11-8-10(15)6-7-13(11)20-14-5-3-2-4-12(14)16(18)19/h2-9,17H,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol?
(1S)-1-[5-fluoro-2-(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 (1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 78941827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).