[3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid

C11H14ClO4P — CID 87190527

IUPAC[3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C11H14ClO4P/c1-2-16-17(14,15)8-11(13)7-9-4-3-5-10(12)6-9/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyIFZTZVSFKTWIFO-UHFFFAOYSA-N
MW276.66 g/mol
LogP2.67
Rot. Bonds6

About [3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid

[3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid (PubChem CID 87190527) has the molecular formula C11H14ClO4P and a molecular weight of 276.66 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid
PubChem CID87190527
Molecular FormulaC11H14ClO4P
Molecular Weight276.66 g/mol
Exact Mass276.03
IUPAC Name[3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C11H14ClO4P/c1-2-16-17(14,15)8-11(13)7-9-4-3-5-10(12)6-9/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyIFZTZVSFKTWIFO-UHFFFAOYSA-N
XLogP2.67
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.66
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]phosphinic acid
CID 87761081
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one
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1-(3-chlorophenyl)-4-methylhexan-2-one
CID 62621128
1-(3-chlorophenyl)propan-2-one
CID 2734097
4-amino-1-(3-chlorophenyl)hexan-2-one
CID 116609053
3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride
CID 115046737
1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 39433553
1-(3-chlorophenyl)-4-(ethylamino)butan-2-one
CID 116565791
ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
CID 60615788
1-(3-chlorophenyl)-5-methylsulfonylpentan-2-one
CID 63192015
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one
CID 62620945
1-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642220

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid?
The IUPAC name of [3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid (CID 87190527) is [3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid.
What is the SMILES notation for [3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid?
The canonical SMILES for [3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid is CCOP(=O)(O)CC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of [3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid?
The InChIKey is IFZTZVSFKTWIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClO4P/c1-2-16-17(14,15)8-11(13)7-9-4-3-5-10(12)6-9/h3-6H,2,7-8H2,1H3,(H,14,15).
What are the key properties of [3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid?
[3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid has a molecular weight of 276.66 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-2-oxopropyl]-ethoxyphosphinic acid is sourced from PubChem (CID 87190527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).