1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane

C15H16F5P — CID 91507263

IUPAC1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane
SMILESCc1ccc(Cc2ccc(C)cc2)cc1.FP(F)(F)(F)F
InChIInChI=1S/C15H16.F5P/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6(2,3,4)5/h3-10H,11H2,1-2H3;
InChIKeyUVXOXXKOVXUVBV-UHFFFAOYSA-N
MW322.26 g/mol
LogP6.86
Rot. Bonds2

About 1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane

1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane (PubChem CID 91507263) has the molecular formula C15H16F5P and a molecular weight of 322.26 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane.

Molecular Properties

Compound Name1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane
PubChem CID91507263
Molecular FormulaC15H16F5P
Molecular Weight322.26 g/mol
Exact Mass322.09
IUPAC Name1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane
SMILESCc1ccc(Cc2ccc(C)cc2)cc1.FP(F)(F)(F)F
InChIInChI=1S/C15H16.F5P/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6(2,3,4)5/h3-10H,11H2,1-2H3;
InChIKeyUVXOXXKOVXUVBV-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.26
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
CID 22408145
1-benzyl-4-methylbenzene;toluene
CID 144690555
dimethyl-[4-[(4-methylphenyl)methyl]phenyl]silane
CID 173381996
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
[4-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]phenyl]methanol
CID 121329886
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
CID 134273598
3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 91341403

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane?
The IUPAC name of 1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane (CID 91507263) is 1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane.
What is the SMILES notation for 1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane?
The canonical SMILES for 1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane is Cc1ccc(Cc2ccc(C)cc2)cc1.FP(F)(F)(F)F.
What is the InChIKey of 1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane?
The InChIKey is UVXOXXKOVXUVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.F5P/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-6(2,3,4)5/h3-10H,11H2,1-2H3;.
What are the key properties of 1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane?
1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane has a molecular weight of 322.26 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane is sourced from PubChem (CID 91507263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).