1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene

C24H27OP — CID 2776719

IUPAC1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene
SMILESCc1c(C)c(C)c(CP(=O)(c2ccccc2)c2ccccc2)c(C)c1C
InChIInChI=1S/C24H27OP/c1-17-18(2)20(4)24(21(5)19(17)3)16-26(25,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15H,16H2,1-5H3
InChIKeyLVJBDMNJQPSKMA-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.74
Rot. Bonds4

About 1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene

1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene (PubChem CID 2776719) has the molecular formula C24H27OP and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene
PubChem CID2776719
Molecular FormulaC24H27OP
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene
SMILESCc1c(C)c(C)c(CP(=O)(c2ccccc2)c2ccccc2)c(C)c1C
InChIInChI=1S/C24H27OP/c1-17-18(2)20(4)24(21(5)19(17)3)16-26(25,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15H,16H2,1-5H3
InChIKeyLVJBDMNJQPSKMA-UHFFFAOYSA-N
XLogP5.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(diphenylphosphorylmethyl)-4-ethylbenzene
CID 160537726
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
1-(diphenylphosphorylmethyl)-4-methylnaphthalene
CID 135296211
2,5-bis(diphenylphosphorylmethyl)-1H-pyrrole
CID 102311609
5-(diphenylphosphorylmethyl)-2-methyl-1,3-thiazole
CID 11781963
1-chloro-4-(diphenylphosphorylmethyl)benzene
CID 14941259
1,3-bis[ethyl(phenyl)phosphoryl]benzene
CID 59816903
2-(diphenylphosphorylmethyl)-1,5,5-trimethylcyclohexa-1,3-diene
CID 151188674
[methyl(phenyl)phosphoryl]methanamine
CID 58489074
2-(diphenylphosphorylmethyl)-1-[2-(diphenylphosphorylmethyl)naphthalen-1-yl]naphthalene
CID 10952532
(E)-N,1-bis(diphenylphosphoryl)propan-2-imine
CID 10813717
1-bromo-3-(diphenylphosphorylmethyl)benzene
CID 172848194

Frequently Asked Questions

What is the IUPAC name of 1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene (CID 2776719) is 1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene is Cc1c(C)c(C)c(CP(=O)(c2ccccc2)c2ccccc2)c(C)c1C.
What is the InChIKey of 1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene?
The InChIKey is LVJBDMNJQPSKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27OP/c1-17-18(2)20(4)24(21(5)19(17)3)16-26(25,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15H,16H2,1-5H3.
What are the key properties of 1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene?
1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene has a molecular weight of 362.45 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenylphosphorylmethyl)-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 2776719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).