2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane

C18H18F5OP — CID 89214616

IUPAC2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCCC(C)(Pc1c(F)c(F)c(F)c(F)c1F)c1cccc(C)c1OC
InChIInChI=1S/C18H18F5OP/c1-5-18(3,10-8-6-7-9(2)16(10)24-4)25-17-14(22)12(20)11(19)13(21)15(17)23/h6-8,25H,5H2,1-4H3
InChIKeyMYJSRIHCGHNUMN-UHFFFAOYSA-N
MW376.31 g/mol
LogP5.33
Rot. Bonds5

About 2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane

2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane (PubChem CID 89214616) has the molecular formula C18H18F5OP and a molecular weight of 376.31 g/mol. Its IUPAC name is 2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane.

Molecular Properties

Compound Name2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane
PubChem CID89214616
Molecular FormulaC18H18F5OP
Molecular Weight376.31 g/mol
Exact Mass376.10
IUPAC Name2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCCC(C)(Pc1c(F)c(F)c(F)c(F)c1F)c1cccc(C)c1OC
InChIInChI=1S/C18H18F5OP/c1-5-18(3,10-8-6-7-9(2)16(10)24-4)25-17-14(22)12(20)11(19)13(21)15(17)23/h6-8,25H,5H2,1-4H3
InChIKeyMYJSRIHCGHNUMN-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.31
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane?
The IUPAC name of 2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane (CID 89214616) is 2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane.
What is the SMILES notation for 2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane?
The canonical SMILES for 2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane is CCC(C)(Pc1c(F)c(F)c(F)c(F)c1F)c1cccc(C)c1OC.
What is the InChIKey of 2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane?
The InChIKey is MYJSRIHCGHNUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F5OP/c1-5-18(3,10-8-6-7-9(2)16(10)24-4)25-17-14(22)12(20)11(19)13(21)15(17)23/h6-8,25H,5H2,1-4H3.
What are the key properties of 2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane?
2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane has a molecular weight of 376.31 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-methylphenyl)butan-2-yl-(2,3,4,5,6-pentafluorophenyl)phosphane is sourced from PubChem (CID 89214616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).