ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid

C13H19O5P — CID 87450652

IUPACethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid
SMILESCCOP(=O)(O)CCC(=O)c1cccc(COC)c1
InChIInChI=1S/C13H19O5P/c1-3-18-19(15,16)8-7-13(14)12-6-4-5-11(9-12)10-17-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)
InChIKeyDMHVXESPQKOFLS-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.63
Rot. Bonds8

About ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid

ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid (PubChem CID 87450652) has the molecular formula C13H19O5P and a molecular weight of 286.26 g/mol. Its IUPAC name is ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid
PubChem CID87450652
Molecular FormulaC13H19O5P
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Nameethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid
SMILESCCOP(=O)(O)CCC(=O)c1cccc(COC)c1
InChIInChI=1S/C13H19O5P/c1-3-18-19(15,16)8-7-13(14)12-6-4-5-11(9-12)10-17-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)
InChIKeyDMHVXESPQKOFLS-UHFFFAOYSA-N
XLogP2.63
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone
CID 117283877
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
ethyl 2-[3-(methoxymethyl)phenyl]-2-oxoacetate
CID 117317819
propyl 3-(methoxymethyl)benzoate
CID 78846700
1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
CID 54297695
1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone
CID 117108260
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 116543141
N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
CID 37358180
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide
CID 103604607
N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 9481032
ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid
CID 87885688
ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate
CID 51200273

Frequently Asked Questions

What is the IUPAC name of ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid?
The IUPAC name of ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid (CID 87450652) is ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid.
What is the SMILES notation for ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid?
The canonical SMILES for ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid is CCOP(=O)(O)CCC(=O)c1cccc(COC)c1.
What is the InChIKey of ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid?
The InChIKey is DMHVXESPQKOFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O5P/c1-3-18-19(15,16)8-7-13(14)12-6-4-5-11(9-12)10-17-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16).
What are the key properties of ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid?
ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid has a molecular weight of 286.26 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid is sourced from PubChem (CID 87450652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).