dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate

C24H15ClO3S — CID 5199831

IUPACdibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate
SMILESO=C(CSc1cccc2cccc(Cl)c12)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C24H15ClO3S/c25-19-8-3-5-15-6-4-10-22(24(15)19)29-14-23(26)27-16-11-12-21-18(13-16)17-7-1-2-9-20(17)28-21/h1-13H,14H2
InChIKeyZAVITXPFTJDEST-UHFFFAOYSA-N
MW418.90 g/mol
LogP7.09
Rot. Bonds4

About dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate

dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate (PubChem CID 5199831) has the molecular formula C24H15ClO3S and a molecular weight of 418.90 g/mol. Its IUPAC name is dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate.

Molecular Properties

Compound Namedibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate
PubChem CID5199831
Molecular FormulaC24H15ClO3S
Molecular Weight418.90 g/mol
Exact Mass418.04
IUPAC Namedibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate
SMILESO=C(CSc1cccc2cccc(Cl)c12)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C24H15ClO3S/c25-19-8-3-5-15-6-4-10-22(24(15)19)29-14-23(26)27-16-11-12-21-18(13-16)17-7-1-2-9-20(17)28-21/h1-13H,14H2
InChIKeyZAVITXPFTJDEST-UHFFFAOYSA-N
XLogP7.09
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.90
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
CID 5153228
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
dibenzofuran-2-yl 4-phenylsulfanylbutanoate
CID 5205509
dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate
CID 55574924
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 4298323
dibenzofuran-2-yl 3-chlorobenzoate
CID 3985789
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 23740202
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7701826
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7701952
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 2513008
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 9417530

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The IUPAC name of dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate (CID 5199831) is dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate.
What is the SMILES notation for dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The canonical SMILES for dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate is O=C(CSc1cccc2cccc(Cl)c12)Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The InChIKey is ZAVITXPFTJDEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClO3S/c25-19-8-3-5-15-6-4-10-22(24(15)19)29-14-23(26)27-16-11-12-21-18(13-16)17-7-1-2-9-20(17)28-21/h1-13H,14H2.
What are the key properties of dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate has a molecular weight of 418.90 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate is sourced from PubChem (CID 5199831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).