[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate

C22H20O5 — CID 8821392

IUPAC[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
SMILESCOc1ccc(C(=O)[C@H](C)OC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H20O5/c1-15(22(24)17-8-10-19(25-2)11-9-17)27-21(23)14-26-20-12-7-16-5-3-4-6-18(16)13-20/h3-13,15H,14H2,1-2H3/t15-/m0/s1
InChIKeyURWAESZFDVCPPM-HNNXBMFYSA-N
MW364.40 g/mol
LogP4.04
Rot. Bonds7

About [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate

[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate (PubChem CID 8821392) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
PubChem CID8821392
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
SMILESCOc1ccc(C(=O)[C@H](C)OC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H20O5/c1-15(22(24)17-8-10-19(25-2)11-9-17)27-21(23)14-26-20-12-7-16-5-3-4-6-18(16)13-20/h3-13,15H,14H2,1-2H3/t15-/m0/s1
InChIKeyURWAESZFDVCPPM-HNNXBMFYSA-N
XLogP4.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970559
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 7855511
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839402
3,3-dimethylbutan-2-yl 2-naphthalen-2-yloxyacetate
CID 86034979
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821299
[(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate
CID 8821377
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 3667679
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
(1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate
CID 55316588
methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
CID 7956911

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate (CID 8821392) is [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate is COc1ccc(C(=O)[C@H](C)OC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate?
The InChIKey is URWAESZFDVCPPM-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20O5/c1-15(22(24)17-8-10-19(25-2)11-9-17)27-21(23)14-26-20-12-7-16-5-3-4-6-18(16)13-20/h3-13,15H,14H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate?
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate has a molecular weight of 364.40 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 8821392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).