2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane

C23H32O3P2 — CID 20718100

IUPAC2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane
SMILESCOc1ccccc1P(CCP1C(C)C(OC)C(OC)C1C)c1ccccc1
InChIInChI=1S/C23H32O3P2/c1-17-22(25-4)23(26-5)18(2)27(17)15-16-28(19-11-7-6-8-12-19)21-14-10-9-13-20(21)24-3/h6-14,17-18,22-23H,15-16H2,1-5H3
InChIKeyCIBPZSUXFRTYEC-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.43
Rot. Bonds8

About 2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane

2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane (PubChem CID 20718100) has the molecular formula C23H32O3P2 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane.

Molecular Properties

Compound Name2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane
PubChem CID20718100
Molecular FormulaC23H32O3P2
Molecular Weight418.45 g/mol
Exact Mass418.18
IUPAC Name2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane
SMILESCOc1ccccc1P(CCP1C(C)C(OC)C(OC)C1C)c1ccccc1
InChIInChI=1S/C23H32O3P2/c1-17-22(25-4)23(26-5)18(2)27(17)15-16-28(19-11-7-6-8-12-19)21-14-10-9-13-20(21)24-3/h6-14,17-18,22-23H,15-16H2,1-5H3
InChIKeyCIBPZSUXFRTYEC-UHFFFAOYSA-N
XLogP4.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane?
The IUPAC name of 2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane (CID 20718100) is 2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane.
What is the SMILES notation for 2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane?
The canonical SMILES for 2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane is COc1ccccc1P(CCP1C(C)C(OC)C(OC)C1C)c1ccccc1.
What is the InChIKey of 2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane?
The InChIKey is CIBPZSUXFRTYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3P2/c1-17-22(25-4)23(26-5)18(2)27(17)15-16-28(19-11-7-6-8-12-19)21-14-10-9-13-20(21)24-3/h6-14,17-18,22-23H,15-16H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane?
2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane has a molecular weight of 418.45 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane is sourced from PubChem (CID 20718100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).