4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene

C103H120ClF5N8O10S — CID 158263531

IUPAC4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene
SMILESCC(=O)c1ccc(C)cc1F.Cc1ccc(C)c(C)c1.Cc1ccc(N2CCOCC2)c(Cl)c1.Cc1ccc(N2CCOCC2)c(F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(F)F)c(F)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)CNC2=O.Cc1ccc2nc(C)oc2c1.Cc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H14ClNO.C11H14FNO.C11H16O.C9H9FO.C9H10N2.3C9H9NO.C9H12.C8H7F3O.C8H11NO2S/c2*1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13;1-8(2)12-11-6-5-9(3)7-10(11)4;1-6-3-4-8(7(2)11)9(10)5-6;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-4-5-8(2)9(3)6-7;1-5-2-3-7(6(9)4-5)12-8(10)11;1-7-4-3-5-8(6-7)9-12(2,10)11/h2*2-3,8H,4-7H2,1H3;5-8H,1-4H3;3-5H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2*2-4H,5H2,1H3,(H,10,11);4-6H,1-3H3;2-4,8H,1H3;3-6,9H,1-2H3
InChIKeyGIDWXHWOARCIKN-UHFFFAOYSA-N
MW1792.65 g/mol
LogP23.70
Rot. Bonds9

About 4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene

4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene (PubChem CID 158263531) has the molecular formula C103H120ClF5N8O10S and a molecular weight of 1792.65 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene
PubChem CID158263531
Molecular FormulaC103H120ClF5N8O10S
Molecular Weight1792.65 g/mol
Exact Mass1790.85
IUPAC Name4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene
SMILESCC(=O)c1ccc(C)cc1F.Cc1ccc(C)c(C)c1.Cc1ccc(N2CCOCC2)c(Cl)c1.Cc1ccc(N2CCOCC2)c(F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(F)F)c(F)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)CNC2=O.Cc1ccc2nc(C)oc2c1.Cc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H14ClNO.C11H14FNO.C11H16O.C9H9FO.C9H10N2.3C9H9NO.C9H12.C8H7F3O.C8H11NO2S/c2*1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13;1-8(2)12-11-6-5-9(3)7-10(11)4;1-6-3-4-8(7(2)11)9(10)5-6;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-4-5-8(2)9(3)6-7;1-5-2-3-7(6(9)4-5)12-8(10)11;1-7-4-3-5-8(6-7)9-12(2,10)11/h2*2-3,8H,4-7H2,1H3;5-8H,1-4H3;3-5H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2*2-4H,5H2,1H3,(H,10,11);4-6H,1-3H3;2-4,8H,1H3;3-6,9H,1-2H3
InChIKeyGIDWXHWOARCIKN-UHFFFAOYSA-N
XLogP23.70
TPSA219.55 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001792.65
LogP ≤ 523.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene with MolForge

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Related Compounds

4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole
CID 157084169
2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-(2-fluoro-4-methylphenyl)ethanone;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide
CID 157164639
6-chloro-4-ethyl-7-fluoro-N-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-oxo-4H-naphthalene-2-carboxamide;4-ethyl-7-fluoro-6-methyl-N-[4-[4-(4-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-oxo-4H-naphthalene-2-carboxamide
CID 158472623
4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;methane;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene
CID 161980384

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene?
The IUPAC name of 4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene (CID 158263531) is 4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene.
What is the SMILES notation for 4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene?
The canonical SMILES for 4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene is CC(=O)c1ccc(C)cc1F.Cc1ccc(C)c(C)c1.Cc1ccc(N2CCOCC2)c(Cl)c1.Cc1ccc(N2CCOCC2)c(F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(F)F)c(F)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)CNC2=O.Cc1ccc2nc(C)oc2c1.Cc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene?
The InChIKey is GIDWXHWOARCIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.C11H14FNO.C11H16O.C9H9FO.C9H10N2.3C9H9NO.C9H12.C8H7F3O.C8H11NO2S/c2*1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13;1-8(2)12-11-6-5-9(3)7-10(11)4;1-6-3-4-8(7(2)11)9(10)5-6;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-4-5-8(2)9(3)6-7;1-5-2-3-7(6(9)4-5)12-8(10)11;1-7-4-3-5-8(6-7)9-12(2,10)11/h2*2-3,8H,4-7H2,1H3;5-8H,1-4H3;3-5H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2*2-4H,5H2,1H3,(H,10,11);4-6H,1-3H3;2-4,8H,1H3;3-6,9H,1-2H3.
What are the key properties of 4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene?
4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene has a molecular weight of 1792.65 g/mol, XLogP of 23.70, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene is sourced from PubChem (CID 158263531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).