1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol

C15H14FNO3 — CID 63049499

IUPAC1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol
SMILESCc1ccc(F)cc1C(O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14FNO3/c1-10-6-7-12(16)9-13(10)15(18)8-11-4-2-3-5-14(11)17(19)20/h2-7,9,15,18H,8H2,1H3
InChIKeyAEXYHDFQMPWWDG-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.32
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol

1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol (PubChem CID 63049499) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol
PubChem CID63049499
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol
SMILESCc1ccc(F)cc1C(O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14FNO3/c1-10-6-7-12(16)9-13(10)15(18)8-11-4-2-3-5-14(11)17(19)20/h2-7,9,15,18H,8H2,1H3
InChIKeyAEXYHDFQMPWWDG-UHFFFAOYSA-N
XLogP3.32
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 82890343
1-(2-bromo-3-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 107983827
N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 115967957
1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080048
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
1-(2-bromofuran-3-yl)-2-(2-nitrophenyl)ethanol
CID 106855965
(1S)-1-[4-fluoro-2-[(2-nitrophenyl)methoxy]phenyl]ethanol
CID 63366105
1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol
CID 63017859
1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol
CID 63017856
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol (CID 63049499) is 1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol is Cc1ccc(F)cc1C(O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol?
The InChIKey is AEXYHDFQMPWWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-10-6-7-12(16)9-13(10)15(18)8-11-4-2-3-5-14(11)17(19)20/h2-7,9,15,18H,8H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol?
1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol has a molecular weight of 275.28 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-(2-nitrophenyl)ethanol is sourced from PubChem (CID 63049499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).