(1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol

C15H14FNO4 — CID 78934193

IUPAC(1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccc(F)cc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H14FNO4/c1-10(18)14-6-5-12(16)8-15(14)21-9-11-3-2-4-13(7-11)17(19)20/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyMSKLRUXRFJWVHO-JTQLQIEISA-N
MW291.28 g/mol
LogP3.37
Rot. Bonds5

About (1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol

(1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol (PubChem CID 78934193) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is (1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
PubChem CID78934193
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name(1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccc(F)cc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H14FNO4/c1-10(18)14-6-5-12(16)8-15(14)21-9-11-3-2-4-13(7-11)17(19)20/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyMSKLRUXRFJWVHO-JTQLQIEISA-N
XLogP3.37
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.37
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-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 43503886
(1R)-1-[5-chloro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 63364333
(1S)-1-[4-fluoro-2-[(2-nitrophenyl)methoxy]phenyl]ethanol
CID 63366105
(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 55247059
(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol
CID 104890071
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617
1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325
2-[(3-nitrophenyl)methoxy]aniline
CID 55032299
1-[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 26054490

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol (CID 78934193) is (1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol is C[C@H](O)c1ccc(F)cc1OCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol?
The InChIKey is MSKLRUXRFJWVHO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14FNO4/c1-10(18)14-6-5-12(16)8-15(14)21-9-11-3-2-4-13(7-11)17(19)20/h2-8,10,18H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol?
(1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol has a molecular weight of 291.28 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78934193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).