ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate

C19H19FO4S — CID 573315

IUPACethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FO4S/c1-2-23-19(22)13-25-12-18(21)15-5-9-17(10-6-15)24-11-14-3-7-16(20)8-4-14/h3-10H,2,11-13H2,1H3
InChIKeyXLHNASPYUGTGKZ-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.88
Rot. Bonds9

About ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate

ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate (PubChem CID 573315) has the molecular formula C19H19FO4S and a molecular weight of 362.42 g/mol. Its IUPAC name is ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate
PubChem CID573315
Molecular FormulaC19H19FO4S
Molecular Weight362.42 g/mol
Exact Mass362.10
IUPAC Nameethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate
SMILESCCOC(=O)CSCC(=O)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FO4S/c1-2-23-19(22)13-25-12-18(21)15-5-9-17(10-6-15)24-11-14-3-7-16(20)8-4-14/h3-10H,2,11-13H2,1H3
InChIKeyXLHNASPYUGTGKZ-UHFFFAOYSA-N
XLogP3.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate?
The IUPAC name of ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate (CID 573315) is ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate?
The canonical SMILES for ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate is CCOC(=O)CSCC(=O)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate?
The InChIKey is XLHNASPYUGTGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4S/c1-2-23-19(22)13-25-12-18(21)15-5-9-17(10-6-15)24-11-14-3-7-16(20)8-4-14/h3-10H,2,11-13H2,1H3.
What are the key properties of ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate?
ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate has a molecular weight of 362.42 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 573315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).