(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol

C14H11BrFNO4 — CID 81495973

IUPAC(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1Oc1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11BrFNO4/c1-8(18)10-7-9(16)5-6-13(10)21-14-11(15)3-2-4-12(14)17(19)20/h2-8,18H,1H3/t8-/m1/s1
InChIKeyWSMYFFITQNIKQH-MRVPVSSYSA-N
MW356.15 g/mol
LogP4.34
Rot. Bonds4

About (1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol

(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol (PubChem CID 81495973) has the molecular formula C14H11BrFNO4 and a molecular weight of 356.15 g/mol. Its IUPAC name is (1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol
PubChem CID81495973
Molecular FormulaC14H11BrFNO4
Molecular Weight356.15 g/mol
Exact Mass354.99
IUPAC Name(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1Oc1c(Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11BrFNO4/c1-8(18)10-7-9(16)5-6-13(10)21-14-11(15)3-2-4-12(14)17(19)20/h2-8,18H,1H3/t8-/m1/s1
InChIKeyWSMYFFITQNIKQH-MRVPVSSYSA-N
XLogP4.34
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 54.34
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-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 81495787
(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 107717355
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530
1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol
CID 61031418
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416
1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61038303
1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 107717189
(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 107717188
(1R)-1-[3-bromo-4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831905
2-(2-bromo-4-fluorophenoxy)-1-methyl-3-nitrobenzene
CID 115551202
2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 81495763

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol (CID 81495973) is (1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol is C[C@@H](O)c1cc(F)ccc1Oc1c(Br)cccc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol?
The InChIKey is WSMYFFITQNIKQH-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11BrFNO4/c1-8(18)10-7-9(16)5-6-13(10)21-14-11(15)3-2-4-12(14)17(19)20/h2-8,18H,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol?
(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol has a molecular weight of 356.15 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol is sourced from PubChem (CID 81495973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).