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

C14H13NO4 — CID 54915432

IUPAC1-[2-(3-nitrophenoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H13NO4/c1-10(16)13-7-2-3-8-14(13)19-12-6-4-5-11(9-12)15(17)18/h2-10,16H,1H3
InChIKeyXHJPTKZGLXFYLZ-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.44
Rot. Bonds4

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

1-[2-(3-nitrophenoxy)phenyl]ethanol (PubChem CID 54915432) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[2-(3-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-nitrophenoxy)phenyl]ethanol
PubChem CID54915432
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-[2-(3-nitrophenoxy)phenyl]ethanol
SMILESCC(O)c1ccccc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H13NO4/c1-10(16)13-7-2-3-8-14(13)19-12-6-4-5-11(9-12)15(17)18/h2-10,16H,1H3
InChIKeyXHJPTKZGLXFYLZ-UHFFFAOYSA-N
XLogP3.44
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.44
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-(3-nitrophenoxy)phenyl]ethanol
CID 61032421
(1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol
CID 78938858
(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201808
1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 43503886
(1R)-1-[5-fluoro-2-(3-nitrophenoxy)phenyl]ethanamine
CID 63370044
(1R)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 55183774
(1S)-1-[2-(3-iodophenoxy)phenyl]ethanol
CID 78941728
(1S)-1-[2-(3-propan-2-ylphenoxy)phenyl]ethanol
CID 63372506
(1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol
CID 78944861
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760
(1S)-1-[3-(2,4-dinitrophenoxy)phenyl]ethanol
CID 52506797
(1R)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 78941825

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-nitrophenoxy)phenyl]ethanol?
The IUPAC name of 1-[2-(3-nitrophenoxy)phenyl]ethanol (CID 54915432) is 1-[2-(3-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-(3-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-(3-nitrophenoxy)phenyl]ethanol is CC(O)c1ccccc1Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-[2-(3-nitrophenoxy)phenyl]ethanol?
The InChIKey is XHJPTKZGLXFYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-10(16)13-7-2-3-8-14(13)19-12-6-4-5-11(9-12)15(17)18/h2-10,16H,1H3.
What are the key properties of 1-[2-(3-nitrophenoxy)phenyl]ethanol?
1-[2-(3-nitrophenoxy)phenyl]ethanol has a molecular weight of 259.26 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 54915432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).