2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane

C30H32O3P2 — CID 172818833

IUPAC2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane
SMILESCOc1ccccc1CCP(OP(CCc1ccccc1OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32O3P2/c1-31-29-19-11-9-13-25(29)21-23-34(27-15-5-3-6-16-27)33-35(28-17-7-4-8-18-28)24-22-26-14-10-12-20-30(26)32-2/h3-20H,21-24H2,1-2H3
InChIKeyTYFPWHZEAKVUPJ-UHFFFAOYSA-N
MW502.53 g/mol
LogP6.95
Rot. Bonds12

About 2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane

2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane (PubChem CID 172818833) has the molecular formula C30H32O3P2 and a molecular weight of 502.53 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane.

Molecular Properties

Compound Name2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane
PubChem CID172818833
Molecular FormulaC30H32O3P2
Molecular Weight502.53 g/mol
Exact Mass502.18
IUPAC Name2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane
SMILESCOc1ccccc1CCP(OP(CCc1ccccc1OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32O3P2/c1-31-29-19-11-9-13-25(29)21-23-34(27-15-5-3-6-16-27)33-35(28-17-7-4-8-18-28)24-22-26-14-10-12-20-30(26)32-2/h3-20H,21-24H2,1-2H3
InChIKeyTYFPWHZEAKVUPJ-UHFFFAOYSA-N
XLogP6.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.53
LogP ≤ 56.95
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

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CID 88740626
CID 88740626
1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole
CID 113219800
1-methoxy-2-(2-phenylsulfanylethyl)benzene
CID 101404831
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CID 59897789

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane?
The IUPAC name of 2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane (CID 172818833) is 2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane.
What is the SMILES notation for 2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane?
The canonical SMILES for 2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane is COc1ccccc1CCP(OP(CCc1ccccc1OC)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane?
The InChIKey is TYFPWHZEAKVUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O3P2/c1-31-29-19-11-9-13-25(29)21-23-34(27-15-5-3-6-16-27)33-35(28-17-7-4-8-18-28)24-22-26-14-10-12-20-30(26)32-2/h3-20H,21-24H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane?
2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane has a molecular weight of 502.53 g/mol, XLogP of 6.95, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)ethyl-[2-(2-methoxyphenyl)ethyl-phenylphosphanyl]oxy-phenylphosphane is sourced from PubChem (CID 172818833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).