[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane

C22H21O3P — CID 141347456

IUPAC[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane
SMILESCOc1ccc(P(c2ccccc2)c2ccccc2)c(C2OCCO2)c1
InChIInChI=1S/C22H21O3P/c1-23-17-12-13-21(20(16-17)22-24-14-15-25-22)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22H,14-15H2,1H3
InChIKeyMCRKSNMGKLVVGW-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.50
Rot. Bonds5

About [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane

[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane (PubChem CID 141347456) has the molecular formula C22H21O3P and a molecular weight of 364.38 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane
PubChem CID141347456
Molecular FormulaC22H21O3P
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane
SMILESCOc1ccc(P(c2ccccc2)c2ccccc2)c(C2OCCO2)c1
InChIInChI=1S/C22H21O3P/c1-23-17-12-13-21(20(16-17)22-24-14-15-25-22)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22H,14-15H2,1H3
InChIKeyMCRKSNMGKLVVGW-UHFFFAOYSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.50
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-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane?
The IUPAC name of [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane (CID 141347456) is [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane is COc1ccc(P(c2ccccc2)c2ccccc2)c(C2OCCO2)c1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane?
The InChIKey is MCRKSNMGKLVVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O3P/c1-23-17-12-13-21(20(16-17)22-24-14-15-25-22)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22H,14-15H2,1H3.
What are the key properties of [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane?
[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane has a molecular weight of 364.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]-diphenylphosphane is sourced from PubChem (CID 141347456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).