tris[(3-methylphenyl)methyl]phosphane

C24H27P — CID 19845609

IUPACtris[(3-methylphenyl)methyl]phosphane
SMILESCc1cccc(CP(Cc2cccc(C)c2)Cc2cccc(C)c2)c1
InChIInChI=1S/C24H27P/c1-19-7-4-10-22(13-19)16-25(17-23-11-5-8-20(2)14-23)18-24-12-6-9-21(3)15-24/h4-15H,16-18H2,1-3H3
InChIKeyBULBMZQFEQRLPY-UHFFFAOYSA-N
MW346.45 g/mol
LogP6.99
Rot. Bonds6

About tris[(3-methylphenyl)methyl]phosphane

tris[(3-methylphenyl)methyl]phosphane (PubChem CID 19845609) has the molecular formula C24H27P and a molecular weight of 346.45 g/mol. Its IUPAC name is tris[(3-methylphenyl)methyl]phosphane.

Molecular Properties

Compound Nametris[(3-methylphenyl)methyl]phosphane
PubChem CID19845609
Molecular FormulaC24H27P
Molecular Weight346.45 g/mol
Exact Mass346.19
IUPAC Nametris[(3-methylphenyl)methyl]phosphane
SMILESCc1cccc(CP(Cc2cccc(C)c2)Cc2cccc(C)c2)c1
InChIInChI=1S/C24H27P/c1-19-7-4-10-22(13-19)16-25(17-23-11-5-8-20(2)14-23)18-24-12-6-9-21(3)15-24/h4-15H,16-18H2,1-3H3
InChIKeyBULBMZQFEQRLPY-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 56.99
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

ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
CID 59201849
CID 59201849
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
1-ethyl-3-methylbenzene;methanamine
CID 167447790
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
2-(3-methylphenyl)ethanolate
CID 142208639
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
ethane;1-ethyl-3-methylbenzene;formaldehyde
CID 172563625
3-(3-methylphenyl)propan-1-amine
CID 12666388
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895

Frequently Asked Questions

What is the IUPAC name of tris[(3-methylphenyl)methyl]phosphane?
The IUPAC name of tris[(3-methylphenyl)methyl]phosphane (CID 19845609) is tris[(3-methylphenyl)methyl]phosphane.
What is the SMILES notation for tris[(3-methylphenyl)methyl]phosphane?
The canonical SMILES for tris[(3-methylphenyl)methyl]phosphane is Cc1cccc(CP(Cc2cccc(C)c2)Cc2cccc(C)c2)c1.
What is the InChIKey of tris[(3-methylphenyl)methyl]phosphane?
The InChIKey is BULBMZQFEQRLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27P/c1-19-7-4-10-22(13-19)16-25(17-23-11-5-8-20(2)14-23)18-24-12-6-9-21(3)15-24/h4-15H,16-18H2,1-3H3.
What are the key properties of tris[(3-methylphenyl)methyl]phosphane?
tris[(3-methylphenyl)methyl]phosphane has a molecular weight of 346.45 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(3-methylphenyl)methyl]phosphane is sourced from PubChem (CID 19845609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).