1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one

C20H18FNO4S — CID 58541305

IUPAC1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2nccs2)c(Oc2c(F)cccc2OC)c1
InChIInChI=1S/C20H18FNO4S/c1-24-15-7-6-13(10-14(23)11-19-22-8-9-27-19)18(12-15)26-20-16(21)4-3-5-17(20)25-2/h3-9,12H,10-11H2,1-2H3
InChIKeyPYLYZGCOVYOYIO-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.45
Rot. Bonds8

About 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one

1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58541305) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58541305
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2nccs2)c(Oc2c(F)cccc2OC)c1
InChIInChI=1S/C20H18FNO4S/c1-24-15-7-6-13(10-14(23)11-19-22-8-9-27-19)18(12-15)26-20-16(21)4-3-5-17(20)25-2/h3-9,12H,10-11H2,1-2H3
InChIKeyPYLYZGCOVYOYIO-UHFFFAOYSA-N
XLogP4.45
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 58541305) is 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one is COc1ccc(CC(=O)Cc2nccs2)c(Oc2c(F)cccc2OC)c1.
What is the InChIKey of 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is PYLYZGCOVYOYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-24-15-7-6-13(10-14(23)11-19-22-8-9-27-19)18(12-15)26-20-16(21)4-3-5-17(20)25-2/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 387.43 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methoxyphenyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58541305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).