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

C19H16FNO3S — CID 58541216

IUPAC1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1cccc(F)c1Oc1ccccc1CC(=O)Cc1nccs1
InChIInChI=1S/C19H16FNO3S/c1-23-17-8-4-6-15(20)19(17)24-16-7-3-2-5-13(16)11-14(22)12-18-21-9-10-25-18/h2-10H,11-12H2,1H3
InChIKeyDBIJAUIZSBNQJA-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.44
Rot. Bonds7

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

1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58541216) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58541216
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCOc1cccc(F)c1Oc1ccccc1CC(=O)Cc1nccs1
InChIInChI=1S/C19H16FNO3S/c1-23-17-8-4-6-15(20)19(17)24-16-7-3-2-5-13(16)11-14(22)12-18-21-9-10-25-18/h2-10H,11-12H2,1H3
InChIKeyDBIJAUIZSBNQJA-UHFFFAOYSA-N
XLogP4.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(5-Fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225000
3-[3-(2-Fluoro-6-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225018
3-[3-(4-Fluoro-2-methoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225029
3-[3-(2,3-Dimethoxyphenyl)phenyl]-3-(1,3-thiazol-2-yl)propanoic acid
CID 121225033
2-Fluoro-5-(4-(hexyloxy)phenyl)-1-(thiazol-2-yl)pentan-1-one
CID 51042295
7-(4-Phenylphenoxy)-1-(1,3-thiazol-2-yl)heptan-1-one
CID 44350681
5-(4-Ethoxyphenyl)-2-fluoro-1-(1,3-thiazol-2-yl)pentan-1-one
CID 58297624
1-[2-(2,6-Difluorophenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541161
1-[5-(Dimethylamino)-2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541166
1-(1,3-Thiazol-2-yl)-3-[2-(2,4,6-trifluorophenoxy)phenyl]propan-2-one
CID 58541173
1-[5-Fluoro-2-(2-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541175
1-[5-Fluoro-2-[2-(trifluoromethyl)phenoxy]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541180

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one (CID 58541216) is 1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is COc1cccc(F)c1Oc1ccccc1CC(=O)Cc1nccs1.
What is the InChIKey of 1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is DBIJAUIZSBNQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-23-17-8-4-6-15(20)19(17)24-16-7-3-2-5-13(16)11-14(22)12-18-21-9-10-25-18/h2-10H,11-12H2,1H3.
What are the key properties of 1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one?
1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 357.41 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-6-methoxyphenoxy)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58541216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).