4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol

C13H21O5P — CID 57349790

IUPAC4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol
SMILESCCOP(=O)(Cc1cc(C)c(O)c(OC)c1)OCC
InChIInChI=1S/C13H21O5P/c1-5-17-19(15,18-6-2)9-11-7-10(3)13(14)12(8-11)16-4/h7-8,14H,5-6,9H2,1-4H3
InChIKeyVINIDERKQYVBHT-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.48
Rot. Bonds7

About 4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol

4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol (PubChem CID 57349790) has the molecular formula C13H21O5P and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol
PubChem CID57349790
Molecular FormulaC13H21O5P
Molecular Weight288.28 g/mol
Exact Mass288.11
IUPAC Name4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol
SMILESCCOP(=O)(Cc1cc(C)c(O)c(OC)c1)OCC
InChIInChI=1S/C13H21O5P/c1-5-17-19(15,18-6-2)9-11-7-10(3)13(14)12(8-11)16-4/h7-8,14H,5-6,9H2,1-4H3
InChIKeyVINIDERKQYVBHT-UHFFFAOYSA-N
XLogP3.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol?
The IUPAC name of 4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol (CID 57349790) is 4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol.
What is the SMILES notation for 4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol?
The canonical SMILES for 4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol is CCOP(=O)(Cc1cc(C)c(O)c(OC)c1)OCC.
What is the InChIKey of 4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol?
The InChIKey is VINIDERKQYVBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O5P/c1-5-17-19(15,18-6-2)9-11-7-10(3)13(14)12(8-11)16-4/h7-8,14H,5-6,9H2,1-4H3.
What are the key properties of 4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol?
4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol has a molecular weight of 288.28 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxyphosphorylmethyl)-2-methoxy-6-methylphenol is sourced from PubChem (CID 57349790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).