(2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane

C31H33NO2P2 — CID 90861548

IUPAC(2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane
SMILESCOc1ccccc1P(c1ccccc1)[C@@H]1CN(C)C[C@H]1P(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C31H33NO2P2/c1-32-22-30(35(24-14-6-4-7-15-24)28-20-12-10-18-26(28)33-2)31(23-32)36(25-16-8-5-9-17-25)29-21-13-11-19-27(29)34-3/h4-21,30-31H,22-23H2,1-3H3/t30-,31-,35?,36?/m1/s1
InChIKeyUWSPOHRUJPNVOK-BVYHZEMKSA-N
MW513.56 g/mol
LogP4.95
Rot. Bonds8

About (2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane

(2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane (PubChem CID 90861548) has the molecular formula C31H33NO2P2 and a molecular weight of 513.56 g/mol. Its IUPAC name is (2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane.

Molecular Properties

Compound Name(2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane
PubChem CID90861548
Molecular FormulaC31H33NO2P2
Molecular Weight513.56 g/mol
Exact Mass513.20
IUPAC Name(2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane
SMILESCOc1ccccc1P(c1ccccc1)[C@@H]1CN(C)C[C@H]1P(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C31H33NO2P2/c1-32-22-30(35(24-14-6-4-7-15-24)28-20-12-10-18-26(28)33-2)31(23-32)36(25-16-8-5-9-17-25)29-21-13-11-19-27(29)34-3/h4-21,30-31H,22-23H2,1-3H3/t30-,31-,35?,36?/m1/s1
InChIKeyUWSPOHRUJPNVOK-BVYHZEMKSA-N
XLogP4.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.56
LogP ≤ 54.95
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-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane?
The IUPAC name of (2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane (CID 90861548) is (2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane.
What is the SMILES notation for (2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane?
The canonical SMILES for (2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane is COc1ccccc1P(c1ccccc1)[C@@H]1CN(C)C[C@H]1P(c1ccccc1)c1ccccc1OC.
What is the InChIKey of (2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane?
The InChIKey is UWSPOHRUJPNVOK-BVYHZEMKSA-N. The full InChI is InChI=1S/C31H33NO2P2/c1-32-22-30(35(24-14-6-4-7-15-24)28-20-12-10-18-26(28)33-2)31(23-32)36(25-16-8-5-9-17-25)29-21-13-11-19-27(29)34-3/h4-21,30-31H,22-23H2,1-3H3/t30-,31-,35?,36?/m1/s1.
What are the key properties of (2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane?
(2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane has a molecular weight of 513.56 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[(3R,4R)-4-[(2-methoxyphenyl)-phenylphosphanyl]-1-methylpyrrolidin-3-yl]-phenylphosphane is sourced from PubChem (CID 90861548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).