4-diethoxyphosphoryl-1,2-dimethylbenzene

C12H19O3P — CID 10966692

IUPAC4-diethoxyphosphoryl-1,2-dimethylbenzene
SMILESCCOP(=O)(OCC)c1ccc(C)c(C)c1
InChIInChI=1S/C12H19O3P/c1-5-14-16(13,15-6-2)12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3
InChIKeyOVDYSUKBHLHBSR-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.19
Rot. Bonds5

About 4-diethoxyphosphoryl-1,2-dimethylbenzene

4-diethoxyphosphoryl-1,2-dimethylbenzene (PubChem CID 10966692) has the molecular formula C12H19O3P and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-diethoxyphosphoryl-1,2-dimethylbenzene
PubChem CID10966692
Molecular FormulaC12H19O3P
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name4-diethoxyphosphoryl-1,2-dimethylbenzene
SMILESCCOP(=O)(OCC)c1ccc(C)c(C)c1
InChIInChI=1S/C12H19O3P/c1-5-14-16(13,15-6-2)12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3
InChIKeyOVDYSUKBHLHBSR-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.19
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 4-diethoxyphosphoryl-1,2-dimethylbenzene?
The IUPAC name of 4-diethoxyphosphoryl-1,2-dimethylbenzene (CID 10966692) is 4-diethoxyphosphoryl-1,2-dimethylbenzene.
What is the SMILES notation for 4-diethoxyphosphoryl-1,2-dimethylbenzene?
The canonical SMILES for 4-diethoxyphosphoryl-1,2-dimethylbenzene is CCOP(=O)(OCC)c1ccc(C)c(C)c1.
What is the InChIKey of 4-diethoxyphosphoryl-1,2-dimethylbenzene?
The InChIKey is OVDYSUKBHLHBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O3P/c1-5-14-16(13,15-6-2)12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-diethoxyphosphoryl-1,2-dimethylbenzene?
4-diethoxyphosphoryl-1,2-dimethylbenzene has a molecular weight of 242.25 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-1,2-dimethylbenzene is sourced from PubChem (CID 10966692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).