(2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate

C19H14Cl2O2S — CID 7795777

IUPAC(2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(CSc1ccc2ccccc2c1)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2O2S/c20-17-6-3-7-18(21)16(17)11-23-19(22)12-24-15-9-8-13-4-1-2-5-14(13)10-15/h1-10H,11-12H2
InChIKeyOEGWRVJWXYOHQP-UHFFFAOYSA-N
MW377.29 g/mol
LogP5.98
Rot. Bonds5

About (2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate

(2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate (PubChem CID 7795777) has the molecular formula C19H14Cl2O2S and a molecular weight of 377.29 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate
PubChem CID7795777
Molecular FormulaC19H14Cl2O2S
Molecular Weight377.29 g/mol
Exact Mass376.01
IUPAC Name(2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(CSc1ccc2ccccc2c1)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2O2S/c20-17-6-3-7-18(21)16(17)11-23-19(22)12-24-15-9-8-13-4-1-2-5-14(13)10-15/h1-10H,11-12H2
InChIKeyOEGWRVJWXYOHQP-UHFFFAOYSA-N
XLogP5.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
phenacyl 2-naphthalen-2-ylsulfanylacetate
CID 2380984
(2-naphthalen-2-ylsulfanylacetyl) 2-naphthalen-2-yl-2-sulfanylacetate
CID 91454907
(5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate
CID 7795703
1-(3-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43411868
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 4569482
[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 3398800
(4-chlorophenyl)methyl 2-phenylsulfanylacetate
CID 533039
1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 840044
[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642247
[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642063
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-naphthalen-2-ylsulfanylacetate
CID 3903979

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate (CID 7795777) is (2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate is O=C(CSc1ccc2ccccc2c1)OCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is OEGWRVJWXYOHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O2S/c20-17-6-3-7-18(21)16(17)11-23-19(22)12-24-15-9-8-13-4-1-2-5-14(13)10-15/h1-10H,11-12H2.
What are the key properties of (2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate?
(2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 377.29 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 7795777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).