[methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane

C20H21OP3 — CID 87255560

IUPAC[methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane
SMILESCOC(Pc1ccccc1)(Pc1ccccc1)Pc1ccccc1
InChIInChI=1S/C20H21OP3/c1-21-20(22-17-11-5-2-6-12-17,23-18-13-7-3-8-14-18)24-19-15-9-4-10-16-19/h2-16,22-24H,1H3
InChIKeyBXGCPORTXSHRHG-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.26
Rot. Bonds7

About [methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane

[methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane (PubChem CID 87255560) has the molecular formula C20H21OP3 and a molecular weight of 370.31 g/mol. Its IUPAC name is [methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane.

Molecular Properties

Compound Name[methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane
PubChem CID87255560
Molecular FormulaC20H21OP3
Molecular Weight370.31 g/mol
Exact Mass370.08
IUPAC Name[methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane
SMILESCOC(Pc1ccccc1)(Pc1ccccc1)Pc1ccccc1
InChIInChI=1S/C20H21OP3/c1-21-20(22-17-11-5-2-6-12-17,23-18-13-7-3-8-14-18)24-19-15-9-4-10-16-19/h2-16,22-24H,1H3
InChIKeyBXGCPORTXSHRHG-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane?
The IUPAC name of [methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane (CID 87255560) is [methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane.
What is the SMILES notation for [methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane?
The canonical SMILES for [methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane is COC(Pc1ccccc1)(Pc1ccccc1)Pc1ccccc1.
What is the InChIKey of [methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane?
The InChIKey is BXGCPORTXSHRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21OP3/c1-21-20(22-17-11-5-2-6-12-17,23-18-13-7-3-8-14-18)24-19-15-9-4-10-16-19/h2-16,22-24H,1H3.
What are the key properties of [methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane?
[methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane has a molecular weight of 370.31 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy-bis(phenylphosphanyl)methyl]-phenylphosphane is sourced from PubChem (CID 87255560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).