(3,5-dimethoxyphenyl)methyl-diethoxyphosphane

C13H21O4P — CID 71222353

IUPAC(3,5-dimethoxyphenyl)methyl-diethoxyphosphane
SMILESCCOP(Cc1cc(OC)cc(OC)c1)OCC
InChIInChI=1S/C13H21O4P/c1-5-16-18(17-6-2)10-11-7-12(14-3)9-13(8-11)15-4/h7-9H,5-6,10H2,1-4H3
InChIKeyXWNLQQLNWRJIJA-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.59
Rot. Bonds8

About (3,5-dimethoxyphenyl)methyl-diethoxyphosphane

(3,5-dimethoxyphenyl)methyl-diethoxyphosphane (PubChem CID 71222353) has the molecular formula C13H21O4P and a molecular weight of 272.28 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)methyl-diethoxyphosphane.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)methyl-diethoxyphosphane
PubChem CID71222353
Molecular FormulaC13H21O4P
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC Name(3,5-dimethoxyphenyl)methyl-diethoxyphosphane
SMILESCCOP(Cc1cc(OC)cc(OC)c1)OCC
InChIInChI=1S/C13H21O4P/c1-5-16-18(17-6-2)10-11-7-12(14-3)9-13(8-11)15-4/h7-9H,5-6,10H2,1-4H3
InChIKeyXWNLQQLNWRJIJA-UHFFFAOYSA-N
XLogP3.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)methyl-diethoxyphosphane?
The IUPAC name of (3,5-dimethoxyphenyl)methyl-diethoxyphosphane (CID 71222353) is (3,5-dimethoxyphenyl)methyl-diethoxyphosphane.
What is the SMILES notation for (3,5-dimethoxyphenyl)methyl-diethoxyphosphane?
The canonical SMILES for (3,5-dimethoxyphenyl)methyl-diethoxyphosphane is CCOP(Cc1cc(OC)cc(OC)c1)OCC.
What is the InChIKey of (3,5-dimethoxyphenyl)methyl-diethoxyphosphane?
The InChIKey is XWNLQQLNWRJIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O4P/c1-5-16-18(17-6-2)10-11-7-12(14-3)9-13(8-11)15-4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl)methyl-diethoxyphosphane?
(3,5-dimethoxyphenyl)methyl-diethoxyphosphane has a molecular weight of 272.28 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)methyl-diethoxyphosphane is sourced from PubChem (CID 71222353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).