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

C22H23P — CID 91019854

IUPACbenzyl-phenyl-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(P(Cc2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C22H23P/c1-17-14-18(2)22(19(3)15-17)23(21-12-8-5-9-13-21)16-20-10-6-4-7-11-20/h4-15H,16H2,1-3H3
InChIKeyHVWPZMTVQNLVTF-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.24
Rot. Bonds4

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

benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane (PubChem CID 91019854) has the molecular formula C22H23P and a molecular weight of 318.40 g/mol. Its IUPAC name is benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane.

Molecular Properties

Compound Namebenzyl-phenyl-(2,4,6-trimethylphenyl)phosphane
PubChem CID91019854
Molecular FormulaC22H23P
Molecular Weight318.40 g/mol
Exact Mass318.15
IUPAC Namebenzyl-phenyl-(2,4,6-trimethylphenyl)phosphane
SMILESCc1cc(C)c(P(Cc2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C22H23P/c1-17-14-18(2)22(19(3)15-17)23(21-12-8-5-9-13-21)16-20-10-6-4-7-11-20/h4-15H,16H2,1-3H3
InChIKeyHVWPZMTVQNLVTF-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.24
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

benzyl-methyl-(2,4,6-trimethylphenyl)phosphane
CID 59775575
bis(benzyl(diphenyl)phosphane);dichloropalladium
CID 134992154
diphenyl-[9-(2,4,6-trimethylphenyl)nonyl]phosphane;hydrate
CID 172851260
(2,6-dimethylphenyl)methyl-diphenylphosphane
CID 130461808
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
CID 10930139
CID 10930139
benzyl-bis(2,3-dimethylphenyl)phosphane
CID 118892814
benzyl-bis(4-methoxyphenyl)phosphane
CID 19835460
(4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane
CID 174887519
chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane
CID 11480006
[5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane
CID 15763240
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884

Frequently Asked Questions

What is the IUPAC name of benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane?
The IUPAC name of benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane (CID 91019854) is benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane.
What is the SMILES notation for benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane?
The canonical SMILES for benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane is Cc1cc(C)c(P(Cc2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane?
The InChIKey is HVWPZMTVQNLVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23P/c1-17-14-18(2)22(19(3)15-17)23(21-12-8-5-9-13-21)16-20-10-6-4-7-11-20/h4-15H,16H2,1-3H3.
What are the key properties of benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane?
benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane has a molecular weight of 318.40 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane is sourced from PubChem (CID 91019854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).