benzyl-bis(2-phenylethoxy)phosphane

C23H25O2P — CID 141159288

IUPACbenzyl-bis(2-phenylethoxy)phosphane
SMILESc1ccc(CCOP(Cc2ccccc2)OCCc2ccccc2)cc1
InChIInChI=1S/C23H25O2P/c1-4-10-21(11-5-1)16-18-24-26(20-23-14-8-3-9-15-23)25-19-17-22-12-6-2-7-13-22/h1-15H,16-20H2
InChIKeyPHBAFRGSQVHMAC-UHFFFAOYSA-N
MW364.43 g/mol
LogP6.02
Rot. Bonds10

About benzyl-bis(2-phenylethoxy)phosphane

benzyl-bis(2-phenylethoxy)phosphane (PubChem CID 141159288) has the molecular formula C23H25O2P and a molecular weight of 364.43 g/mol. Its IUPAC name is benzyl-bis(2-phenylethoxy)phosphane.

Molecular Properties

Compound Namebenzyl-bis(2-phenylethoxy)phosphane
PubChem CID141159288
Molecular FormulaC23H25O2P
Molecular Weight364.43 g/mol
Exact Mass364.16
IUPAC Namebenzyl-bis(2-phenylethoxy)phosphane
SMILESc1ccc(CCOP(Cc2ccccc2)OCCc2ccccc2)cc1
InChIInChI=1S/C23H25O2P/c1-4-10-21(11-5-1)16-18-24-26(20-23-14-8-3-9-15-23)25-19-17-22-12-6-2-7-13-22/h1-15H,16-20H2
InChIKeyPHBAFRGSQVHMAC-UHFFFAOYSA-N
XLogP6.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 56.02
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

dimethyl(2-phenylethoxy)phosphane
CID 141159269
CID 58731637
CID 58731637
2-phenylethyl bis(trimethylsilyl) phosphite
CID 135071839
palladium;bis(tribenzylphosphane)
CID 87652258
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
2-methoxyethylbenzene
CID 19089
benzene;2-phenylethylbenzene
CID 18982764
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-phenylethyl dihydrogen phosphite
CID 70583726
hafnium;2-phenylethylbenzene
CID 173109801
2-phenylethoxymethylidenetungsten
CID 166530687
dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane
CID 12037877
2-phosphorosooxyethylbenzene
CID 23393054

Frequently Asked Questions

What is the IUPAC name of benzyl-bis(2-phenylethoxy)phosphane?
The IUPAC name of benzyl-bis(2-phenylethoxy)phosphane (CID 141159288) is benzyl-bis(2-phenylethoxy)phosphane.
What is the SMILES notation for benzyl-bis(2-phenylethoxy)phosphane?
The canonical SMILES for benzyl-bis(2-phenylethoxy)phosphane is c1ccc(CCOP(Cc2ccccc2)OCCc2ccccc2)cc1.
What is the InChIKey of benzyl-bis(2-phenylethoxy)phosphane?
The InChIKey is PHBAFRGSQVHMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O2P/c1-4-10-21(11-5-1)16-18-24-26(20-23-14-8-3-9-15-23)25-19-17-22-12-6-2-7-13-22/h1-15H,16-20H2.
What are the key properties of benzyl-bis(2-phenylethoxy)phosphane?
benzyl-bis(2-phenylethoxy)phosphane has a molecular weight of 364.43 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis(2-phenylethoxy)phosphane is sourced from PubChem (CID 141159288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).