benzyl-methyl-(2,4,6-trimethylphenyl)phosphane

C17H21P — CID 59775575

IUPACbenzyl-methyl-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(P(C)Cc2ccccc2)c(C)c1
InChIInChI=1S/C17H21P/c1-13-10-14(2)17(15(3)11-13)18(4)12-16-8-6-5-7-9-16/h5-11H,12H2,1-4H3
InChIKeyWFIMMYKHIDMOHM-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.55
Rot. Bonds3

About benzyl-methyl-(2,4,6-trimethylphenyl)phosphane

benzyl-methyl-(2,4,6-trimethylphenyl)phosphane (PubChem CID 59775575) has the molecular formula C17H21P and a molecular weight of 256.33 g/mol. Its IUPAC name is benzyl-methyl-(2,4,6-trimethylphenyl)phosphane.

Molecular Properties

Compound Namebenzyl-methyl-(2,4,6-trimethylphenyl)phosphane
PubChem CID59775575
Molecular FormulaC17H21P
Molecular Weight256.33 g/mol
Exact Mass256.14
IUPAC Namebenzyl-methyl-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(P(C)Cc2ccccc2)c(C)c1
InChIInChI=1S/C17H21P/c1-13-10-14(2)17(15(3)11-13)18(4)12-16-8-6-5-7-9-16/h5-11H,12H2,1-4H3
InChIKeyWFIMMYKHIDMOHM-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.55
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

M-Xylene
CID 7929
1-Ethenyl-3-methylbenzene
CID 7529
trans,trans-1,4-Diphenyl-1,3-butadiene
CID 641683
(2.2)Paracyclophane
CID 74210
Phosphine, tris(4-methylphenyl)-
CID 13956
Isopropylbiphenyl
CID 20259910
1,1'-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bisbenzene
CID 80715
Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
CID 74681
6,6'-Diphenylfulvene
CID 101236
1,3-Diphenylpropane
CID 14125
1,6-Diphenylhexatriene
CID 5376733
[(E)-4-phenylbut-2-enyl]benzene
CID 5370638

Frequently Asked Questions

What is the IUPAC name of benzyl-methyl-(2,4,6-trimethylphenyl)phosphane?
The IUPAC name of benzyl-methyl-(2,4,6-trimethylphenyl)phosphane (CID 59775575) is benzyl-methyl-(2,4,6-trimethylphenyl)phosphane.
What is the SMILES notation for benzyl-methyl-(2,4,6-trimethylphenyl)phosphane?
The canonical SMILES for benzyl-methyl-(2,4,6-trimethylphenyl)phosphane is Cc1cc(C)c(P(C)Cc2ccccc2)c(C)c1.
What is the InChIKey of benzyl-methyl-(2,4,6-trimethylphenyl)phosphane?
The InChIKey is WFIMMYKHIDMOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21P/c1-13-10-14(2)17(15(3)11-13)18(4)12-16-8-6-5-7-9-16/h5-11H,12H2,1-4H3.
What are the key properties of benzyl-methyl-(2,4,6-trimethylphenyl)phosphane?
benzyl-methyl-(2,4,6-trimethylphenyl)phosphane has a molecular weight of 256.33 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-(2,4,6-trimethylphenyl)phosphane is sourced from PubChem (CID 59775575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).