1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol

C15H14FNO4 — CID 61038303

IUPAC1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol
SMILESCc1cccc(Oc2ccc(F)cc2C(C)O)c1[N+](=O)[O-]
InChIInChI=1S/C15H14FNO4/c1-9-4-3-5-14(15(9)17(19)20)21-13-7-6-11(16)8-12(13)10(2)18/h3-8,10,18H,1-2H3
InChIKeyUVCVNJWFXVJLJB-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.89
Rot. Bonds4

About 1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol

1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol (PubChem CID 61038303) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol
PubChem CID61038303
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol
SMILESCc1cccc(Oc2ccc(F)cc2C(C)O)c1[N+](=O)[O-]
InChIInChI=1S/C15H14FNO4/c1-9-4-3-5-14(15(9)17(19)20)21-13-7-6-11(16)8-12(13)10(2)18/h3-8,10,18H,1-2H3
InChIKeyUVCVNJWFXVJLJB-UHFFFAOYSA-N
XLogP3.89
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.89
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-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol
CID 61031418
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530
5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 61038190
(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 107717355
(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 81495973
(1S)-1-[3-fluoro-4-(3-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937884
1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
CID 43506465
2-(3-methyl-2-nitrophenoxy)phenol
CID 114041918
(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol (CID 61038303) is 1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol is Cc1cccc(Oc2ccc(F)cc2C(C)O)c1[N+](=O)[O-].
What is the InChIKey of 1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol?
The InChIKey is UVCVNJWFXVJLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-9-4-3-5-14(15(9)17(19)20)21-13-7-6-11(16)8-12(13)10(2)18/h3-8,10,18H,1-2H3.
What are the key properties of 1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol?
1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol has a molecular weight of 291.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 61038303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).