[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate

C21H18O4S — CID 8642063

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESCOc1ccccc1C(=O)COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C21H18O4S/c1-24-20-9-5-4-8-18(20)19(22)13-25-21(23)14-26-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13-14H2,1H3
InChIKeyZZUIBSKROFPSPY-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.37
Rot. Bonds7

About [2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate

[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (PubChem CID 8642063) has the molecular formula C21H18O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
PubChem CID8642063
Molecular FormulaC21H18O4S
Molecular Weight366.44 g/mol
Exact Mass366.09
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESCOc1ccccc1C(=O)COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C21H18O4S/c1-24-20-9-5-4-8-18(20)19(22)13-25-21(23)14-26-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13-14H2,1H3
InChIKeyZZUIBSKROFPSPY-UHFFFAOYSA-N
XLogP4.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 4569482
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 7132048
phenacyl 2-naphthalen-2-ylsulfanylacetate
CID 2380984
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 30779612
(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
[2-(1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 2122419
[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795775
(5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate
CID 7795703
[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642247
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
CID 23988615
[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 3398800
[2-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 3372169

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (CID 8642063) is [2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is COc1ccccc1C(=O)COC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is ZZUIBSKROFPSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4S/c1-24-20-9-5-4-8-18(20)19(22)13-25-21(23)14-26-17-11-10-15-6-2-3-7-16(15)12-17/h2-12H,13-14H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 366.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 8642063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).