[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane

C33H29O2P — CID 11982331

IUPAC[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane
SMILESc1ccc(COc2cc(CP(c3ccccc3)c3ccccc3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C33H29O2P/c1-5-13-27(14-6-1)24-34-30-21-29(22-31(23-30)35-25-28-15-7-2-8-16-28)26-36(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-23H,24-26H2
InChIKeyPFOPLUWXNSQLAY-UHFFFAOYSA-N
MW488.57 g/mol
LogP7.48
Rot. Bonds10

About [3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane

[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane (PubChem CID 11982331) has the molecular formula C33H29O2P and a molecular weight of 488.57 g/mol. Its IUPAC name is [3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane
PubChem CID11982331
Molecular FormulaC33H29O2P
Molecular Weight488.57 g/mol
Exact Mass488.19
IUPAC Name[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane
SMILESc1ccc(COc2cc(CP(c3ccccc3)c3ccccc3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C33H29O2P/c1-5-13-27(14-6-1)24-34-30-21-29(22-31(23-30)35-25-28-15-7-2-8-16-28)26-36(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-23H,24-26H2
InChIKeyPFOPLUWXNSQLAY-UHFFFAOYSA-N
XLogP7.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
(3-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951
1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
CID 159571173
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
CID 160694879
4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-pyridinyl]pyridine
CID 102467208

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane?
The IUPAC name of [3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane (CID 11982331) is [3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane.
What is the SMILES notation for [3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane?
The canonical SMILES for [3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane is c1ccc(COc2cc(CP(c3ccccc3)c3ccccc3)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of [3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane?
The InChIKey is PFOPLUWXNSQLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29O2P/c1-5-13-27(14-6-1)24-34-30-21-29(22-31(23-30)35-25-28-15-7-2-8-16-28)26-36(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-23H,24-26H2.
What are the key properties of [3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane?
[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane has a molecular weight of 488.57 g/mol, XLogP of 7.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane is sourced from PubChem (CID 11982331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).