2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol

C19H24FOP — CID 71040213

IUPAC2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol
SMILESCCC(C)(Pc1c(C)cccc1F)c1cc(C)cc(C)c1O
InChIInChI=1S/C19H24FOP/c1-6-19(5,15-11-12(2)10-14(4)17(15)21)22-18-13(3)8-7-9-16(18)20/h7-11,21-22H,6H2,1-5H3
InChIKeyLQZPDYWJWMKCEP-UHFFFAOYSA-N
MW318.37 g/mol
LogP5.09
Rot. Bonds4

About 2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol

2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol (PubChem CID 71040213) has the molecular formula C19H24FOP and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol
PubChem CID71040213
Molecular FormulaC19H24FOP
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol
SMILESCCC(C)(Pc1c(C)cccc1F)c1cc(C)cc(C)c1O
InChIInChI=1S/C19H24FOP/c1-6-19(5,15-11-12(2)10-14(4)17(15)21)22-18-13(3)8-7-9-16(18)20/h7-11,21-22H,6H2,1-5H3
InChIKeyLQZPDYWJWMKCEP-UHFFFAOYSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.37
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol?
The IUPAC name of 2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol (CID 71040213) is 2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol?
The canonical SMILES for 2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol is CCC(C)(Pc1c(C)cccc1F)c1cc(C)cc(C)c1O.
What is the InChIKey of 2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol?
The InChIKey is LQZPDYWJWMKCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FOP/c1-6-19(5,15-11-12(2)10-14(4)17(15)21)22-18-13(3)8-7-9-16(18)20/h7-11,21-22H,6H2,1-5H3.
What are the key properties of 2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol?
2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol has a molecular weight of 318.37 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-6-methylphenyl)phosphanylbutan-2-yl]-4,6-dimethylphenol is sourced from PubChem (CID 71040213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).