1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene

C32H27O3P — CID 20750497

IUPAC1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccccc3)c(Oc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C32H27O3P/c1-24-13-17-26(18-14-24)34-28-21-22-32(31(23-28)35-27-19-15-25(2)16-20-27)36(33,29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-23H,1-2H3
InChIKeyVTLLQBXYWAGBML-UHFFFAOYSA-N
MW490.54 g/mol
LogP7.53
Rot. Bonds7

About 1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene

1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene (PubChem CID 20750497) has the molecular formula C32H27O3P and a molecular weight of 490.54 g/mol. Its IUPAC name is 1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene.

Molecular Properties

Compound Name1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene
PubChem CID20750497
Molecular FormulaC32H27O3P
Molecular Weight490.54 g/mol
Exact Mass490.17
IUPAC Name1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccccc3)c(Oc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C32H27O3P/c1-24-13-17-26(18-14-24)34-28-21-22-32(31(23-28)35-27-19-15-25(2)16-20-27)36(33,29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-23H,1-2H3
InChIKeyVTLLQBXYWAGBML-UHFFFAOYSA-N
XLogP7.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.54
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-[2-diphenylphosphoryl-5-(3-methylphenoxy)phenoxy]phenyl]carbamoyl]-6-(methylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 20750520
chlorophosphonic acid;1-methyl-4-phenoxybenzene
CID 88791217
1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
CID 144799075
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
1,2-bis[bis(4-methylphenyl)phosphoryl]benzene
CID 139462616
2-diphenylphosphoryl-1,4-dimethoxybenzene
CID 15129135
1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
CID 144542678
5-bis(4-methylphenyl)phosphoryl-4-bromo-2,2-difluoro-7-phenoxy-1,3-benzodioxole
CID 58839332
1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene
CID 15910881
4-[[4-diphenylphosphoryl-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]aniline
CID 163481572
4-[4-[[4-[4-carboxy-3-[[4-[3-(4-methylphenoxy)phenoxy]phenyl]carbamoyl]phenoxy]phenyl]-phenylphosphoryl]phenoxy]-2-(methylcarbamoyl)benzoic acid
CID 20750530
1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene
CID 132556763

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene?
The IUPAC name of 1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene (CID 20750497) is 1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene.
What is the SMILES notation for 1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene?
The canonical SMILES for 1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene is Cc1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccccc3)c(Oc3ccc(C)cc3)c2)cc1.
What is the InChIKey of 1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene?
The InChIKey is VTLLQBXYWAGBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27O3P/c1-24-13-17-26(18-14-24)34-28-21-22-32(31(23-28)35-27-19-15-25(2)16-20-27)36(33,29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-23H,1-2H3.
What are the key properties of 1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene?
1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene has a molecular weight of 490.54 g/mol, XLogP of 7.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene is sourced from PubChem (CID 20750497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).