1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine

C161H124F16N2O16 — CID 157307751

IUPAC1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine
SMILESCOc1cccc(Oc2c(F)cc(C)cc2F)c1.COc1cccc(Oc2ccc(C)cc2F)c1.Cc1cc(F)c(-c2ccccc2)c(F)c1.Cc1cc(F)c(Oc2ccc3c(c2)OCO3)c(F)c1.Cc1cc(F)c(Oc2ccc3cccnc3c2)c(F)c1.Cc1cc(F)c(Oc2cccc3c2oc2ccccc23)c(F)c1.Cc1ccc(-c2cccc(F)c2)nc1.Cc1ccc(-c2ccccc2)c(F)c1.Cc1ccc(Oc2ccc3c(c2)OCO3)c(F)c1.Cc1ccc(Oc2cccc3c2oc2ccccc23)c(F)c1.Cc1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C19H12F2O2.C19H13FO2.C16H11F2NO.C14H10F2O3.C14H12F2O2.C14H11FO3.C14H13FO2.C13H10F2.C13H11FO.C13H11F.C12H10FN/c1-11-9-14(20)19(15(21)10-11)23-17-8-4-6-13-12-5-2-3-7-16(12)22-18(13)17;1-12-9-10-17(15(20)11-12)21-18-8-4-6-14-13-5-2-3-7-16(13)22-19(14)18;1-10-7-13(17)16(14(18)8-10)20-12-5-4-11-3-2-6-19-15(11)9-12;1-8-4-10(15)14(11(16)5-8)19-9-2-3-12-13(6-9)18-7-17-12;1-9-6-12(15)14(13(16)7-9)18-11-5-3-4-10(8-11)17-2;1-9-2-4-12(11(15)6-9)18-10-3-5-13-14(7-10)17-8-16-13;1-10-6-7-14(13(15)8-10)17-12-5-3-4-11(9-12)16-2;1-9-7-11(14)13(12(15)8-9)10-5-3-2-4-6-10;1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11;1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11;1-9-5-6-12(14-8-9)10-3-2-4-11(13)7-10/h2-10H,1H3;2-11H,1H3;2-9H,1H3;2-6H,7H2,1H3;3-8H,1-2H3;2-7H,8H2,1H3;3-9H,1-2H3;2-8H,1H3;2-9H,1H3;2-9H,1H3;2-8H,1H3
InChIKeyBCRLPAJEJZYNGP-UHFFFAOYSA-N
MW2646.73 g/mol
LogP46.73
Rot. Bonds21

About 1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine

1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine (PubChem CID 157307751) has the molecular formula C161H124F16N2O16 and a molecular weight of 2646.73 g/mol. Its IUPAC name is 1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine.

Molecular Properties

Compound Name1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine
PubChem CID157307751
Molecular FormulaC161H124F16N2O16
Molecular Weight2646.73 g/mol
Exact Mass2644.87
IUPAC Name1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine
SMILESCOc1cccc(Oc2c(F)cc(C)cc2F)c1.COc1cccc(Oc2ccc(C)cc2F)c1.Cc1cc(F)c(-c2ccccc2)c(F)c1.Cc1cc(F)c(Oc2ccc3c(c2)OCO3)c(F)c1.Cc1cc(F)c(Oc2ccc3cccnc3c2)c(F)c1.Cc1cc(F)c(Oc2cccc3c2oc2ccccc23)c(F)c1.Cc1ccc(-c2cccc(F)c2)nc1.Cc1ccc(-c2ccccc2)c(F)c1.Cc1ccc(Oc2ccc3c(c2)OCO3)c(F)c1.Cc1ccc(Oc2cccc3c2oc2ccccc23)c(F)c1.Cc1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C19H12F2O2.C19H13FO2.C16H11F2NO.C14H10F2O3.C14H12F2O2.C14H11FO3.C14H13FO2.C13H10F2.C13H11FO.C13H11F.C12H10FN/c1-11-9-14(20)19(15(21)10-11)23-17-8-4-6-13-12-5-2-3-7-16(12)22-18(13)17;1-12-9-10-17(15(20)11-12)21-18-8-4-6-14-13-5-2-3-7-16(13)22-19(14)18;1-10-7-13(17)16(14(18)8-10)20-12-5-4-11-3-2-6-19-15(11)9-12;1-8-4-10(15)14(11(16)5-8)19-9-2-3-12-13(6-9)18-7-17-12;1-9-6-12(15)14(13(16)7-9)18-11-5-3-4-10(8-11)17-2;1-9-2-4-12(11(15)6-9)18-10-3-5-13-14(7-10)17-8-16-13;1-10-6-7-14(13(15)8-10)17-12-5-3-4-11(9-12)16-2;1-9-7-11(14)13(12(15)8-9)10-5-3-2-4-6-10;1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11;1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11;1-9-5-6-12(14-8-9)10-3-2-4-11(13)7-10/h2-10H,1H3;2-11H,1H3;2-9H,1H3;2-6H,7H2,1H3;3-8H,1-2H3;2-7H,8H2,1H3;3-9H,1-2H3;2-8H,1H3;2-9H,1H3;2-9H,1H3;2-8H,1H3
InChIKeyBCRLPAJEJZYNGP-UHFFFAOYSA-N
XLogP46.73
TPSA181.28 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002646.73
LogP ≤ 546.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine?
The IUPAC name of 1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine (CID 157307751) is 1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine.
What is the SMILES notation for 1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine?
The canonical SMILES for 1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine is COc1cccc(Oc2c(F)cc(C)cc2F)c1.COc1cccc(Oc2ccc(C)cc2F)c1.Cc1cc(F)c(-c2ccccc2)c(F)c1.Cc1cc(F)c(Oc2ccc3c(c2)OCO3)c(F)c1.Cc1cc(F)c(Oc2ccc3cccnc3c2)c(F)c1.Cc1cc(F)c(Oc2cccc3c2oc2ccccc23)c(F)c1.Cc1ccc(-c2cccc(F)c2)nc1.Cc1ccc(-c2ccccc2)c(F)c1.Cc1ccc(Oc2ccc3c(c2)OCO3)c(F)c1.Cc1ccc(Oc2cccc3c2oc2ccccc23)c(F)c1.Cc1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of 1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine?
The InChIKey is BCRLPAJEJZYNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2O2.C19H13FO2.C16H11F2NO.C14H10F2O3.C14H12F2O2.C14H11FO3.C14H13FO2.C13H10F2.C13H11FO.C13H11F.C12H10FN/c1-11-9-14(20)19(15(21)10-11)23-17-8-4-6-13-12-5-2-3-7-16(12)22-18(13)17;1-12-9-10-17(15(20)11-12)21-18-8-4-6-14-13-5-2-3-7-16(13)22-19(14)18;1-10-7-13(17)16(14(18)8-10)20-12-5-4-11-3-2-6-19-15(11)9-12;1-8-4-10(15)14(11(16)5-8)19-9-2-3-12-13(6-9)18-7-17-12;1-9-6-12(15)14(13(16)7-9)18-11-5-3-4-10(8-11)17-2;1-9-2-4-12(11(15)6-9)18-10-3-5-13-14(7-10)17-8-16-13;1-10-6-7-14(13(15)8-10)17-12-5-3-4-11(9-12)16-2;1-9-7-11(14)13(12(15)8-9)10-5-3-2-4-6-10;1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11;1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11;1-9-5-6-12(14-8-9)10-3-2-4-11(13)7-10/h2-10H,1H3;2-11H,1H3;2-9H,1H3;2-6H,7H2,1H3;3-8H,1-2H3;2-7H,8H2,1H3;3-9H,1-2H3;2-8H,1H3;2-9H,1H3;2-9H,1H3;2-8H,1H3.
What are the key properties of 1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine?
1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine has a molecular weight of 2646.73 g/mol, XLogP of 46.73, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(3-methoxyphenoxy)-5-methylbenzene;5-(2,6-difluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2,6-difluoro-4-methylphenoxy)dibenzofuran;7-(2,6-difluoro-4-methylphenoxy)quinoline;1,3-difluoro-5-methyl-2-phenylbenzene;2-fluoro-1-(3-methoxyphenoxy)-4-methylbenzene;2-fluoro-4-methyl-1-phenoxybenzene;5-(2-fluoro-4-methylphenoxy)-1,3-benzodioxole;4-(2-fluoro-4-methylphenoxy)dibenzofuran;2-fluoro-4-methyl-1-phenylbenzene;2-(3-fluorophenyl)-5-methylpyridine is sourced from PubChem (CID 157307751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).