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

C15H14FNO4 — CID 61031418

IUPAC1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol
SMILESCc1c(Oc2ccc(F)cc2C(C)O)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14FNO4/c1-9-13(17(19)20)4-3-5-14(9)21-15-7-6-11(16)8-12(15)10(2)18/h3-8,10,18H,1-2H3
InChIKeyVQVHBIXPTVFSFA-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.89
Rot. Bonds4

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

1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol (PubChem CID 61031418) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol
PubChem CID61031418
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol
SMILESCc1c(Oc2ccc(F)cc2C(C)O)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14FNO4/c1-9-13(17(19)20)4-3-5-14(9)21-15-7-6-11(16)8-12(15)10(2)18/h3-8,10,18H,1-2H3
InChIKeyVQVHBIXPTVFSFA-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

(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530
(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 81495973
(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 107717355
1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61038303
4-fluoro-2-(2-methyl-3-nitrophenoxy)benzoic acid
CID 107016511
1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 61032159
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanamine
CID 63370153
1-[2-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]ethanol
CID 114417033
(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol
CID 63374590
1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 107717189
1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 81495787

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol (CID 61031418) is 1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol is Cc1c(Oc2ccc(F)cc2C(C)O)cccc1[N+](=O)[O-].
What is the InChIKey of 1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol?
The InChIKey is VQVHBIXPTVFSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-9-13(17(19)20)4-3-5-14(9)21-15-7-6-11(16)8-12(15)10(2)18/h3-8,10,18H,1-2H3.
What are the key properties of 1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol?
1-[5-fluoro-2-(2-methyl-3-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-(2-methyl-3-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 61031418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).