methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate

C20H17FO3S — CID 59093115

IUPACmethyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1ccc2cc(OCc3ccccc3F)ccc2c1
InChIInChI=1S/C20H17FO3S/c1-23-20(22)13-25-18-9-7-14-10-17(8-6-15(14)11-18)24-12-16-4-2-3-5-19(16)21/h2-11H,12-13H2,1H3
InChIKeyOIQRYOPOIBBASP-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.82
Rot. Bonds6

About methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate

methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate (PubChem CID 59093115) has the molecular formula C20H17FO3S and a molecular weight of 356.42 g/mol. Its IUPAC name is methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate
PubChem CID59093115
Molecular FormulaC20H17FO3S
Molecular Weight356.42 g/mol
Exact Mass356.09
IUPAC Namemethyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate
SMILESCOC(=O)CSc1ccc2cc(OCc3ccccc3F)ccc2c1
InChIInChI=1S/C20H17FO3S/c1-23-20(22)13-25-18-9-7-14-10-17(8-6-15(14)11-18)24-12-16-4-2-3-5-19(16)21/h2-11H,12-13H2,1H3
InChIKeyOIQRYOPOIBBASP-UHFFFAOYSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate?
The IUPAC name of methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate (CID 59093115) is methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate is COC(=O)CSc1ccc2cc(OCc3ccccc3F)ccc2c1.
What is the InChIKey of methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate?
The InChIKey is OIQRYOPOIBBASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO3S/c1-23-20(22)13-25-18-9-7-14-10-17(8-6-15(14)11-18)24-12-16-4-2-3-5-19(16)21/h2-11H,12-13H2,1H3.
What are the key properties of methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate?
methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate has a molecular weight of 356.42 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]sulfanylacetate is sourced from PubChem (CID 59093115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).