(1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol

C15H14FNO4 — CID 63374956

IUPAC(1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol
SMILESCc1ccc([N+](=O)[O-])cc1Oc1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C15H14FNO4/c1-9-3-5-12(17(19)20)8-15(9)21-14-6-4-11(10(2)18)7-13(14)16/h3-8,10,18H,1-2H3/t10-/m1/s1
InChIKeyPTEBHQZUHPIWTI-SNVBAGLBSA-N
MW291.28 g/mol
LogP3.89
Rot. Bonds4

About (1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol

(1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol (PubChem CID 63374956) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol
PubChem CID63374956
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name(1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol
SMILESCc1ccc([N+](=O)[O-])cc1Oc1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C15H14FNO4/c1-9-3-5-12(17(19)20)8-15(9)21-14-6-4-11(10(2)18)7-13(14)16/h3-8,10,18H,1-2H3/t10-/m1/s1
InChIKeyPTEBHQZUHPIWTI-SNVBAGLBSA-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-[3-fluoro-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 61038214
(1R)-1-[4-(2-bromo-5-nitrophenoxy)-3-fluorophenyl]ethanol
CID 103010836
1-[4-(2-chloro-4-nitrophenoxy)-3-fluorophenyl]ethanol
CID 61030672
1-[3-bromo-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 62911354
(1S)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284879
(1R)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284914
2-[4-(chloromethyl)-2-fluorophenoxy]-1-methyl-4-nitrobenzene
CID 61032468
2-[4-(bromomethyl)-2-fluorophenoxy]-1-methyl-4-nitrobenzene
CID 107088099
(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol
CID 63374590
(1S)-1-[4-(4-chloro-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 78938627
(1S)-1-[4-(4-bromo-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 65430184
[3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407172

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol (CID 63374956) is (1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol is Cc1ccc([N+](=O)[O-])cc1Oc1ccc([C@@H](C)O)cc1F.
What is the InChIKey of (1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol?
The InChIKey is PTEBHQZUHPIWTI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-9-3-5-12(17(19)20)8-15(9)21-14-6-4-11(10(2)18)7-13(14)16/h3-8,10,18H,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol?
(1R)-1-[3-fluoro-4-(2-methyl-5-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 (1R)-1-[3-fluoro-4-(2-methyl-5-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 63374956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).