1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol

C14H12FNO4 — CID 61032421

IUPAC1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol
SMILESCC(O)c1c(F)cccc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12FNO4/c1-9(17)14-12(15)6-3-7-13(14)20-11-5-2-4-10(8-11)16(18)19/h2-9,17H,1H3
InChIKeyPTBSCKGRQZDHBU-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.58
Rot. Bonds4

About 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol

1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol (PubChem CID 61032421) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol
PubChem CID61032421
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol
SMILESCC(O)c1c(F)cccc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12FNO4/c1-9(17)14-12(15)6-3-7-13(14)20-11-5-2-4-10(8-11)16(18)19/h2-9,17H,1H3
InChIKeyPTBSCKGRQZDHBU-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'}

Analyze 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760
1-[2-(3-nitrophenoxy)phenyl]ethanol
CID 54915432
1-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol
CID 61031657
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643
(1S)-1-[2-(3-bromophenoxy)-6-fluorophenyl]ethanol
CID 78941624
1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61312027
(1R)-1-[5-fluoro-2-(3-nitrophenoxy)phenyl]ethanamine
CID 63370044
1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471
(1R)-1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanamine
CID 63369973
3-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 63372254
1-[3-fluoro-4-(3-nitrophenoxy)phenyl]ethanone
CID 61030514
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol (CID 61032421) is 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol is CC(O)c1c(F)cccc1Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol?
The InChIKey is PTBSCKGRQZDHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-9(17)14-12(15)6-3-7-13(14)20-11-5-2-4-10(8-11)16(18)19/h2-9,17H,1H3.
What are the key properties of 1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol?
1-[2-fluoro-6-(3-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-(3-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 61032421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).