1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol

C15H14FNO4 — CID 61312027

IUPAC1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol
SMILESCc1ccc(Oc2cccc(F)c2C(C)O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14FNO4/c1-9-6-7-13(12(8-9)17(19)20)21-14-5-3-4-11(16)15(14)10(2)18/h3-8,10,18H,1-2H3
InChIKeyGONIHHDIECEZBN-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.89
Rot. Bonds4

About 1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol

1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol (PubChem CID 61312027) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol
PubChem CID61312027
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol
SMILESCc1ccc(Oc2cccc(F)c2C(C)O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14FNO4/c1-9-6-7-13(12(8-9)17(19)20)21-14-5-3-4-11(16)15(14)10(2)18/h3-8,10,18H,1-2H3
InChIKeyGONIHHDIECEZBN-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-[2-fluoro-6-(2-nitrophenoxy)phenyl]ethanol
CID 61031657
(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 79001316
1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 64854056
1-[2-fluoro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506269
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
(1S)-1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937798
1-[2-fluoro-6-(5-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 61030650
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
1-[2-fluoro-6-(4-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 62367853
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol
CID 61032421
(1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937894
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol (CID 61312027) is 1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol is Cc1ccc(Oc2cccc(F)c2C(C)O)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol?
The InChIKey is GONIHHDIECEZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-9-6-7-13(12(8-9)17(19)20)21-14-5-3-4-11(16)15(14)10(2)18/h3-8,10,18H,1-2H3.
What are the key properties of 1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol?
1-[2-fluoro-6-(4-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-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 61312027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).