4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol

C19H28NO6P — CID 87871933

IUPAC4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol
SMILESCCOP(=O)(OCC)C(Cc1c(C)noc1C)c1cc(C)c(O)c(OC)c1
InChIInChI=1S/C19H28NO6P/c1-7-24-27(22,25-8-2)18(11-16-13(4)20-26-14(16)5)15-9-12(3)19(21)17(10-15)23-6/h9-10,18,21H,7-8,11H2,1-6H3
InChIKeyCWEZNYMRKKIPMB-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.86
Rot. Bonds9

About 4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol

4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol (PubChem CID 87871933) has the molecular formula C19H28NO6P and a molecular weight of 397.41 g/mol. Its IUPAC name is 4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol
PubChem CID87871933
Molecular FormulaC19H28NO6P
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC Name4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol
SMILESCCOP(=O)(OCC)C(Cc1c(C)noc1C)c1cc(C)c(O)c(OC)c1
InChIInChI=1S/C19H28NO6P/c1-7-24-27(22,25-8-2)18(11-16-13(4)20-26-14(16)5)15-9-12(3)19(21)17(10-15)23-6/h9-10,18,21H,7-8,11H2,1-6H3
InChIKeyCWEZNYMRKKIPMB-UHFFFAOYSA-N
XLogP4.86
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol?
The IUPAC name of 4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol (CID 87871933) is 4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol.
What is the SMILES notation for 4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol?
The canonical SMILES for 4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol is CCOP(=O)(OCC)C(Cc1c(C)noc1C)c1cc(C)c(O)c(OC)c1.
What is the InChIKey of 4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol?
The InChIKey is CWEZNYMRKKIPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28NO6P/c1-7-24-27(22,25-8-2)18(11-16-13(4)20-26-14(16)5)15-9-12(3)19(21)17(10-15)23-6/h9-10,18,21H,7-8,11H2,1-6H3.
What are the key properties of 4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol?
4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol has a molecular weight of 397.41 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-diethoxyphosphoryl-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methoxy-6-methylphenol is sourced from PubChem (CID 87871933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).