2-fluoro-6-(4-methyl-3-nitrophenyl)phenol

C13H10FNO3 — CID 69242564

IUPAC2-fluoro-6-(4-methyl-3-nitrophenyl)phenol
SMILESCc1ccc(-c2cccc(F)c2O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10FNO3/c1-8-5-6-9(7-12(8)15(17)18)10-3-2-4-11(14)13(10)16/h2-7,16H,1H3
InChIKeyVFAOUUKYUOQCKN-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.41
Rot. Bonds2

About 2-fluoro-6-(4-methyl-3-nitrophenyl)phenol

2-fluoro-6-(4-methyl-3-nitrophenyl)phenol (PubChem CID 69242564) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-fluoro-6-(4-methyl-3-nitrophenyl)phenol.

Molecular Properties

Compound Name2-fluoro-6-(4-methyl-3-nitrophenyl)phenol
PubChem CID69242564
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name2-fluoro-6-(4-methyl-3-nitrophenyl)phenol
SMILESCc1ccc(-c2cccc(F)c2O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10FNO3/c1-8-5-6-9(7-12(8)15(17)18)10-3-2-4-11(14)13(10)16/h2-7,16H,1H3
InChIKeyVFAOUUKYUOQCKN-UHFFFAOYSA-N
XLogP3.41
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.41
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-methyl-3-nitrophenyl)phenol?
The IUPAC name of 2-fluoro-6-(4-methyl-3-nitrophenyl)phenol (CID 69242564) is 2-fluoro-6-(4-methyl-3-nitrophenyl)phenol.
What is the SMILES notation for 2-fluoro-6-(4-methyl-3-nitrophenyl)phenol?
The canonical SMILES for 2-fluoro-6-(4-methyl-3-nitrophenyl)phenol is Cc1ccc(-c2cccc(F)c2O)cc1[N+](=O)[O-].
What is the InChIKey of 2-fluoro-6-(4-methyl-3-nitrophenyl)phenol?
The InChIKey is VFAOUUKYUOQCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-8-5-6-9(7-12(8)15(17)18)10-3-2-4-11(14)13(10)16/h2-7,16H,1H3.
What are the key properties of 2-fluoro-6-(4-methyl-3-nitrophenyl)phenol?
2-fluoro-6-(4-methyl-3-nitrophenyl)phenol has a molecular weight of 247.23 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-methyl-3-nitrophenyl)phenol is sourced from PubChem (CID 69242564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).