(2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane

C31H33NOP2 — CID 20740875

IUPAC(2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane
SMILESCOc1ccccc1P(c1ccccc1)C1CN(C)CC1P(c1ccccc1)c1ccccc1C
InChIInChI=1S/C31H33NOP2/c1-24-14-10-12-20-28(24)34(25-15-6-4-7-16-25)30-22-32(2)23-31(30)35(26-17-8-5-9-18-26)29-21-13-11-19-27(29)33-3/h4-21,30-31H,22-23H2,1-3H3
InChIKeyJBZQKXDZQZCUNN-UHFFFAOYSA-N
MW497.56 g/mol
LogP5.25
Rot. Bonds7

About (2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane

(2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane (PubChem CID 20740875) has the molecular formula C31H33NOP2 and a molecular weight of 497.56 g/mol. Its IUPAC name is (2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane.

Molecular Properties

Compound Name(2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane
PubChem CID20740875
Molecular FormulaC31H33NOP2
Molecular Weight497.56 g/mol
Exact Mass497.20
IUPAC Name(2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane
SMILESCOc1ccccc1P(c1ccccc1)C1CN(C)CC1P(c1ccccc1)c1ccccc1C
InChIInChI=1S/C31H33NOP2/c1-24-14-10-12-20-28(24)34(25-15-6-4-7-16-25)30-22-32(2)23-31(30)35(26-17-8-5-9-18-26)29-21-13-11-19-27(29)33-3/h4-21,30-31H,22-23H2,1-3H3
InChIKeyJBZQKXDZQZCUNN-UHFFFAOYSA-N
XLogP5.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.56
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane?
The IUPAC name of (2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane (CID 20740875) is (2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane.
What is the SMILES notation for (2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane?
The canonical SMILES for (2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane is COc1ccccc1P(c1ccccc1)C1CN(C)CC1P(c1ccccc1)c1ccccc1C.
What is the InChIKey of (2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane?
The InChIKey is JBZQKXDZQZCUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NOP2/c1-24-14-10-12-20-28(24)34(25-15-6-4-7-16-25)30-22-32(2)23-31(30)35(26-17-8-5-9-18-26)29-21-13-11-19-27(29)33-3/h4-21,30-31H,22-23H2,1-3H3.
What are the key properties of (2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane?
(2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane has a molecular weight of 497.56 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[1-methyl-4-[(2-methylphenyl)-phenylphosphanyl]pyrrolidin-3-yl]-phenylphosphane is sourced from PubChem (CID 20740875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).