1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone

C124H130F12N2O18S — CID 159944302

IUPAC1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone
SMILESCC(=O)C1CC1COc1ccc(-c2cc(C(F)(F)F)cnc2SC(C)C)cc1.CC(=O)C1CC1COc1ccc(-c2cc(F)cc(OCC(C)C)c2)cc1.CC(=O)C1CC1COc1ccc(-c2cc(OC(C)C)cc(F)c2F)cc1F.CC(=O)C1CC1COc1ccc(-c2cc(OC(C)C)ncc2F)cc1.CC(=O)C1CC1COc1ccc(-c2cc(OC(F)(F)F)ccc2CO)cc1.CCOc1ccc(F)c(-c2ccc(OCC3CC3C(C)=O)cc2)c1
InChIInChI=1S/C22H25FO3.C21H22F3NO2S.C21H21F3O3.C20H19F3O4.C20H22FNO3.C20H21FO3/c1-14(2)12-25-21-9-17(8-19(23)11-21)16-4-6-20(7-5-16)26-13-18-10-22(18)15(3)24;1-12(2)28-20-19(9-16(10-25-20)21(22,23)24)14-4-6-17(7-5-14)27-11-15-8-18(15)13(3)26;1-11(2)27-15-8-17(21(24)19(23)9-15)13-4-5-20(18(22)7-13)26-10-14-6-16(14)12(3)25;1-12(25)18-8-15(18)11-26-16-5-2-13(3-6-16)19-9-17(27-20(21,22)23)7-4-14(19)10-24;1-12(2)25-20-9-18(19(21)10-22-20)14-4-6-16(7-5-14)24-11-15-8-17(15)13(3)23;1-3-23-17-8-9-20(21)19(11-17)14-4-6-16(7-5-14)24-12-15-10-18(15)13(2)22/h4-9,11,14,18,22H,10,12-13H2,1-3H3;4-7,9-10,12,15,18H,8,11H2,1-3H3;4-5,7-9,11,14,16H,6,10H2,1-3H3;2-7,9,15,18,24H,8,10-11H2,1H3;4-7,9-10,12,15,17H,8,11H2,1-3H3;4-9,11,15,18H,3,10,12H2,1-2H3
InChIKeyOBHGICBRIRYWNF-UHFFFAOYSA-N
MW2196.44 g/mol
LogP29.29
Rot. Bonds43

About 1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone

1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone (PubChem CID 159944302) has the molecular formula C124H130F12N2O18S and a molecular weight of 2196.44 g/mol. Its IUPAC name is 1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone
PubChem CID159944302
Molecular FormulaC124H130F12N2O18S
Molecular Weight2196.44 g/mol
Exact Mass2194.88
IUPAC Name1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone
SMILESCC(=O)C1CC1COc1ccc(-c2cc(C(F)(F)F)cnc2SC(C)C)cc1.CC(=O)C1CC1COc1ccc(-c2cc(F)cc(OCC(C)C)c2)cc1.CC(=O)C1CC1COc1ccc(-c2cc(OC(C)C)cc(F)c2F)cc1F.CC(=O)C1CC1COc1ccc(-c2cc(OC(C)C)ncc2F)cc1.CC(=O)C1CC1COc1ccc(-c2cc(OC(F)(F)F)ccc2CO)cc1.CCOc1ccc(F)c(-c2ccc(OCC3CC3C(C)=O)cc2)c1
InChIInChI=1S/C22H25FO3.C21H22F3NO2S.C21H21F3O3.C20H19F3O4.C20H22FNO3.C20H21FO3/c1-14(2)12-25-21-9-17(8-19(23)11-21)16-4-6-20(7-5-16)26-13-18-10-22(18)15(3)24;1-12(2)28-20-19(9-16(10-25-20)21(22,23)24)14-4-6-17(7-5-14)27-11-15-8-18(15)13(3)26;1-11(2)27-15-8-17(21(24)19(23)9-15)13-4-5-20(18(22)7-13)26-10-14-6-16(14)12(3)25;1-12(25)18-8-15(18)11-26-16-5-2-13(3-6-16)19-9-17(27-20(21,22)23)7-4-14(19)10-24;1-12(2)25-20-9-18(19(21)10-22-20)14-4-6-16(7-5-14)24-11-15-8-17(15)13(3)23;1-3-23-17-8-9-20(21)19(11-17)14-4-6-16(7-5-14)24-12-15-10-18(15)13(2)22/h4-9,11,14,18,22H,10,12-13H2,1-3H3;4-7,9-10,12,15,18H,8,11H2,1-3H3;4-5,7-9,11,14,16H,6,10H2,1-3H3;2-7,9,15,18,24H,8,10-11H2,1H3;4-7,9-10,12,15,17H,8,11H2,1-3H3;4-9,11,15,18H,3,10,12H2,1-2H3
InChIKeyOBHGICBRIRYWNF-UHFFFAOYSA-N
XLogP29.29
TPSA249.96 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds43
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002196.44
LogP ≤ 529.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone with MolForge

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Related Compounds

cis-(1R,2R)-2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386955
1-[2-[[2-fluoro-4-(2-fluoro-5-phenoxyphenyl)phenoxy]methyl]cyclopropyl]ethanone
CID 134401518
1-[2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropyl]ethanone
CID 134401525
cis-(1R,2R)-2-[[4-(3-methoxy-5-propan-2-yloxyphenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386864
cis-(1R,2R)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methoxymethyl]cyclopropane-1-carboxylic acid
CID 130387038
[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118846484
2-[[4-[2-fluoro-5-(3-fluorophenoxy)phenyl]phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386989
2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 130386999
trans-(1R,2S)-2-[2-[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 130387004
cis-(1R,2R)-2-[[4-(5-cyclopentyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 135359405
[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol
CID 118188401
2-[(1S,2S)-2-[[4-(2-fluoro-5-propan-2-yloxyphenyl)phenyl]methyl]cyclopropyl]acetic acid
CID 130386885

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone (CID 159944302) is 1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone is CC(=O)C1CC1COc1ccc(-c2cc(C(F)(F)F)cnc2SC(C)C)cc1.CC(=O)C1CC1COc1ccc(-c2cc(F)cc(OCC(C)C)c2)cc1.CC(=O)C1CC1COc1ccc(-c2cc(OC(C)C)cc(F)c2F)cc1F.CC(=O)C1CC1COc1ccc(-c2cc(OC(C)C)ncc2F)cc1.CC(=O)C1CC1COc1ccc(-c2cc(OC(F)(F)F)ccc2CO)cc1.CCOc1ccc(F)c(-c2ccc(OCC3CC3C(C)=O)cc2)c1.
What is the InChIKey of 1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone?
The InChIKey is OBHGICBRIRYWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FO3.C21H22F3NO2S.C21H21F3O3.C20H19F3O4.C20H22FNO3.C20H21FO3/c1-14(2)12-25-21-9-17(8-19(23)11-21)16-4-6-20(7-5-16)26-13-18-10-22(18)15(3)24;1-12(2)28-20-19(9-16(10-25-20)21(22,23)24)14-4-6-17(7-5-14)27-11-15-8-18(15)13(3)26;1-11(2)27-15-8-17(21(24)19(23)9-15)13-4-5-20(18(22)7-13)26-10-14-6-16(14)12(3)25;1-12(25)18-8-15(18)11-26-16-5-2-13(3-6-16)19-9-17(27-20(21,22)23)7-4-14(19)10-24;1-12(2)25-20-9-18(19(21)10-22-20)14-4-6-16(7-5-14)24-11-15-8-17(15)13(3)23;1-3-23-17-8-9-20(21)19(11-17)14-4-6-16(7-5-14)24-12-15-10-18(15)13(2)22/h4-9,11,14,18,22H,10,12-13H2,1-3H3;4-7,9-10,12,15,18H,8,11H2,1-3H3;4-5,7-9,11,14,16H,6,10H2,1-3H3;2-7,9,15,18,24H,8,10-11H2,1H3;4-7,9-10,12,15,17H,8,11H2,1-3H3;4-9,11,15,18H,3,10,12H2,1-2H3.
What are the key properties of 1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone?
1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone has a molecular weight of 2196.44 g/mol, XLogP of 29.29, 43 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(2,3-difluoro-5-propan-2-yloxyphenyl)-2-fluorophenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-ethoxy-2-fluorophenyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[3-fluoro-5-(2-methylpropoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-(hydroxymethyl)-5-(trifluoromethoxy)phenyl]phenoxy]methyl]cyclopropyl]ethanone;1-[2-[[4-[2-propan-2-ylsulfanyl-5-(trifluoromethyl)-3-pyridinyl]phenoxy]methyl]cyclopropyl]ethanone is sourced from PubChem (CID 159944302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).