1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one

C11H14ClO5P — CID 22151512

IUPAC1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one
SMILESCOP(=O)(CC(=O)COc1ccc(Cl)cc1)OC
InChIInChI=1S/C11H14ClO5P/c1-15-18(14,16-2)8-10(13)7-17-11-5-3-9(12)4-6-11/h3-6H,7-8H2,1-2H3
InChIKeyPINORBFTXSYEQN-UHFFFAOYSA-N
MW292.65 g/mol
LogP2.77
Rot. Bonds7

About 1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one

1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one (PubChem CID 22151512) has the molecular formula C11H14ClO5P and a molecular weight of 292.65 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one
PubChem CID22151512
Molecular FormulaC11H14ClO5P
Molecular Weight292.65 g/mol
Exact Mass292.03
IUPAC Name1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one
SMILESCOP(=O)(CC(=O)COc1ccc(Cl)cc1)OC
InChIInChI=1S/C11H14ClO5P/c1-15-18(14,16-2)8-10(13)7-17-11-5-3-9(12)4-6-11/h3-6H,7-8H2,1-2H3
InChIKeyPINORBFTXSYEQN-UHFFFAOYSA-N
XLogP2.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenoxy)-3-diethoxyphosphorylpropan-2-one
CID 14736193
1-(4-chlorophenoxy)-5-methylhexan-2-one
CID 115693509
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
1-(4-chlorophenoxy)pent-4-en-2-one
CID 105083082
1-(4-chlorophenoxy)-4-methylhexan-2-one
CID 105091656
[4-(4-chlorophenoxy)-2-methyl-3-oxobutan-2-yl]phosphonic acid
CID 54524347
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-(4-chlorophenoxy)acetyl iodide
CID 134255037
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one
CID 105079492
1-[bis(4-chlorophenyl)methylsulfinyl]-3-(4-chlorophenoxy)propan-2-one
CID 142859351
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one?
The IUPAC name of 1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one (CID 22151512) is 1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one?
The canonical SMILES for 1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one is COP(=O)(CC(=O)COc1ccc(Cl)cc1)OC.
What is the InChIKey of 1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one?
The InChIKey is PINORBFTXSYEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClO5P/c1-15-18(14,16-2)8-10(13)7-17-11-5-3-9(12)4-6-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one?
1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one has a molecular weight of 292.65 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one is sourced from PubChem (CID 22151512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).