(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone

C13H19O3P — CID 87923708

IUPAC(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone
SMILESCCPC(=O)c1c(OC)c(C)cc(C)c1OC
InChIInChI=1S/C13H19O3P/c1-6-17-13(14)10-11(15-4)8(2)7-9(3)12(10)16-5/h7,17H,6H2,1-5H3
InChIKeyIXUDYGQZLGRHEA-UHFFFAOYSA-N
MW254.27 g/mol
LogP3.16
Rot. Bonds5

About (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone

(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone (PubChem CID 87923708) has the molecular formula C13H19O3P and a molecular weight of 254.27 g/mol. Its IUPAC name is (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone.

Molecular Properties

Compound Name(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone
PubChem CID87923708
Molecular FormulaC13H19O3P
Molecular Weight254.27 g/mol
Exact Mass254.11
IUPAC Name(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone
SMILESCCPC(=O)c1c(OC)c(C)cc(C)c1OC
InChIInChI=1S/C13H19O3P/c1-6-17-13(14)10-11(15-4)8(2)7-9(3)12(10)16-5/h7,17H,6H2,1-5H3
InChIKeyIXUDYGQZLGRHEA-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 53.16
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 (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone?
The IUPAC name of (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone (CID 87923708) is (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone.
What is the SMILES notation for (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone?
The canonical SMILES for (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone is CCPC(=O)c1c(OC)c(C)cc(C)c1OC.
What is the InChIKey of (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone?
The InChIKey is IXUDYGQZLGRHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O3P/c1-6-17-13(14)10-11(15-4)8(2)7-9(3)12(10)16-5/h7,17H,6H2,1-5H3.
What are the key properties of (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone?
(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone has a molecular weight of 254.27 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone is sourced from PubChem (CID 87923708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).