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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Related Compounds

(2-methoxyphenyl)-[2-[(2-methoxyphenyl)-methylphosphanyl]ethyl]-phenylphosphane
CID 72586842
(1Z,5Z)-cycloocta-1,5-diene;(2-methoxyphenyl)-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane;rhodium(2+);tetrafluoroborate
CID 133126630
[2-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl-phenylphosphanyl]phenyl]methanol
CID 140578205
(1R)-N-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl]-1-phenylethanamine
CID 102405942
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 25059236
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 173003302
2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol
CID 12057041
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(2-methoxyphenyl)-phenylphosphanyl]acetate
CID 154718116
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
(2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane
CID 90861548
(1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol
CID 138732462
(2-methoxyphenyl)-phenoxy-phenylphosphane
CID 78037549

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).