ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid

C18H21O5P — CID 87885688

IUPACethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid
SMILESCCOP(=O)(O)CC(=O)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C18H21O5P/c1-2-23-24(20,21)14-18(19)16-9-6-10-17(13-16)22-12-11-15-7-4-3-5-8-15/h3-10,13H,2,11-12,14H2,1H3,(H,20,21)
InChIKeyHDJHCVBBYPLDQQ-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.71
Rot. Bonds9

About ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid

ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid (PubChem CID 87885688) has the molecular formula C18H21O5P and a molecular weight of 348.34 g/mol. Its IUPAC name is ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid
PubChem CID87885688
Molecular FormulaC18H21O5P
Molecular Weight348.34 g/mol
Exact Mass348.11
IUPAC Nameethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid
SMILESCCOP(=O)(O)CC(=O)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C18H21O5P/c1-2-23-24(20,21)14-18(19)16-9-6-10-17(13-16)22-12-11-15-7-4-3-5-8-15/h3-10,13H,2,11-12,14H2,1H3,(H,20,21)
InChIKeyHDJHCVBBYPLDQQ-UHFFFAOYSA-N
XLogP3.71
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.71
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

3-(2-phenylethoxy)benzamide
CID 17135006
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
N-ethyl-N-phenyl-3-(2-phenylethoxy)benzamide
CID 17134260
ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
CID 87175635
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
CID 17233441
1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid
CID 174747864
N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
CID 17202577
N'-[2-(4-methoxyphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134452
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984

Frequently Asked Questions

What is the IUPAC name of ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid?
The IUPAC name of ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid (CID 87885688) is ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid.
What is the SMILES notation for ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid?
The canonical SMILES for ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid is CCOP(=O)(O)CC(=O)c1cccc(OCCc2ccccc2)c1.
What is the InChIKey of ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid?
The InChIKey is HDJHCVBBYPLDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O5P/c1-2-23-24(20,21)14-18(19)16-9-6-10-17(13-16)22-12-11-15-7-4-3-5-8-15/h3-10,13H,2,11-12,14H2,1H3,(H,20,21).
What are the key properties of ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid?
ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid has a molecular weight of 348.34 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[2-oxo-2-[3-(2-phenylethoxy)phenyl]ethyl]phosphinic acid is sourced from PubChem (CID 87885688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).