phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate

C20H15ClO4 — CID 8732424

IUPACphenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESO=C(COc1ccc(Cl)c2ccccc12)OCC(=O)c1ccccc1
InChIInChI=1S/C20H15ClO4/c21-17-10-11-19(16-9-5-4-8-15(16)17)24-13-20(23)25-12-18(22)14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyWMPKZAPRYLKYKJ-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.30
Rot. Bonds6

About phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate

phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate (PubChem CID 8732424) has the molecular formula C20H15ClO4 and a molecular weight of 354.79 g/mol. Its IUPAC name is phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate.

Molecular Properties

Compound Namephenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate
PubChem CID8732424
Molecular FormulaC20H15ClO4
Molecular Weight354.79 g/mol
Exact Mass354.07
IUPAC Namephenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESO=C(COc1ccc(Cl)c2ccccc12)OCC(=O)c1ccccc1
InChIInChI=1S/C20H15ClO4/c21-17-10-11-19(16-9-5-4-8-15(16)17)24-13-20(23)25-12-18(22)14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyWMPKZAPRYLKYKJ-UHFFFAOYSA-N
XLogP4.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732373
2-(4-chloronaphthalen-1-yl)oxyacetate
CID 6995020
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732823
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732581
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141
[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732488
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732362
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732816
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732341
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732428
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate?
The IUPAC name of phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate (CID 8732424) is phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate.
What is the SMILES notation for phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate?
The canonical SMILES for phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate is O=C(COc1ccc(Cl)c2ccccc12)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate?
The InChIKey is WMPKZAPRYLKYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO4/c21-17-10-11-19(16-9-5-4-8-15(16)17)24-13-20(23)25-12-18(22)14-6-2-1-3-7-14/h1-11H,12-13H2.
What are the key properties of phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate?
phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate has a molecular weight of 354.79 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate is sourced from PubChem (CID 8732424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).