1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene

C199H185Cl5F18N2O10 — CID 162202843

IUPAC1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene
SMILESCC(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1F.CC(=O)c1cccc(C)c1.CCOC(=O)c1ccccc1C.COC(=O)c1cc(-c2ccccc2)ccc1C.COc1ccc(C)cc1F.Cc1ccc(-c2ccc(F)cc2F)c(F)c1.Cc1ccc(-c2ccccc2)c(Cl)c1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2Cl)c(C#N)c1.Cc1ccc(-c2ccccc2Cl)c(F)c1.Cc1ccc(-c2ccccc2F)c(Cl)c1.Cc1ccc(-c2ccccc2F)c(F)c1.Cc1ccc(Cl)c(C)c1.Cc1cccc(C)c1F.Cc1cccc(C)c1F.Cc1cccc(OC(F)(F)F)c1.Cc1cccc(OC(F)(F)F)c1F.Cc1ccnc(C)c1
InChIInChI=1S/C15H14O2.C14H10ClN.2C13H10ClF.C13H11Cl.C13H9F3.C13H10F2.C13H12.C10H12O2.C9H9FO.2C9H10O.C8H9Cl.C8H6F4O.C8H7F3O.C8H9FO.2C8H9F.C7H9N/c1-11-8-9-13(10-14(11)15(16)17-2)12-6-4-3-5-7-12;1-10-6-7-12(11(8-10)9-16)13-4-2-3-5-14(13)15;1-9-6-7-10(12(14)8-9)11-4-2-3-5-13(11)15;1-9-6-7-11(13(15)8-9)10-4-2-3-5-12(10)14;1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11;1-8-2-4-10(12(15)6-8)11-5-3-9(14)7-13(11)16;1-9-6-7-11(13(15)8-9)10-4-2-3-5-12(10)14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-12-10(11)9-7-5-4-6-8(9)2;1-6-3-4-8(7(2)11)9(10)5-6;1-7-3-5-9(6-4-7)8(2)10;1-7-4-3-5-9(6-7)8(2)10;1-6-3-4-8(9)7(2)5-6;1-5-3-2-4-6(7(5)9)13-8(10,11)12;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-3-4-8(10-2)7(9)5-6;2*1-6-4-3-5-7(2)8(6)9;1-6-3-4-8-7(2)5-6/h3-10H,1-2H3;2-8H,1H3;2*2-8H,1H3;2-9H,1H3;2-7H,1H3;2-8H,1H3;2-10H,1H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;2-4H,1H3;2-5H,1H3;3-5H,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3
InChIKeyZRURTXPTHPPSQD-UHFFFAOYSA-N
MW3283.90 g/mol
LogP59.05
Rot. Bonds17

About 1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene

1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene (PubChem CID 162202843) has the molecular formula C199H185Cl5F18N2O10 and a molecular weight of 3283.90 g/mol. Its IUPAC name is 1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene
PubChem CID162202843
Molecular FormulaC199H185Cl5F18N2O10
Molecular Weight3283.90 g/mol
Exact Mass3279.22
IUPAC Name1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene
SMILESCC(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1F.CC(=O)c1cccc(C)c1.CCOC(=O)c1ccccc1C.COC(=O)c1cc(-c2ccccc2)ccc1C.COc1ccc(C)cc1F.Cc1ccc(-c2ccc(F)cc2F)c(F)c1.Cc1ccc(-c2ccccc2)c(Cl)c1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2Cl)c(C#N)c1.Cc1ccc(-c2ccccc2Cl)c(F)c1.Cc1ccc(-c2ccccc2F)c(Cl)c1.Cc1ccc(-c2ccccc2F)c(F)c1.Cc1ccc(Cl)c(C)c1.Cc1cccc(C)c1F.Cc1cccc(C)c1F.Cc1cccc(OC(F)(F)F)c1.Cc1cccc(OC(F)(F)F)c1F.Cc1ccnc(C)c1
InChIInChI=1S/C15H14O2.C14H10ClN.2C13H10ClF.C13H11Cl.C13H9F3.C13H10F2.C13H12.C10H12O2.C9H9FO.2C9H10O.C8H9Cl.C8H6F4O.C8H7F3O.C8H9FO.2C8H9F.C7H9N/c1-11-8-9-13(10-14(11)15(16)17-2)12-6-4-3-5-7-12;1-10-6-7-12(11(8-10)9-16)13-4-2-3-5-14(13)15;1-9-6-7-10(12(14)8-9)11-4-2-3-5-13(11)15;1-9-6-7-11(13(15)8-9)10-4-2-3-5-12(10)14;1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11;1-8-2-4-10(12(15)6-8)11-5-3-9(14)7-13(11)16;1-9-6-7-11(13(15)8-9)10-4-2-3-5-12(10)14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-12-10(11)9-7-5-4-6-8(9)2;1-6-3-4-8(7(2)11)9(10)5-6;1-7-3-5-9(6-4-7)8(2)10;1-7-4-3-5-9(6-7)8(2)10;1-6-3-4-8(9)7(2)5-6;1-5-3-2-4-6(7(5)9)13-8(10,11)12;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-3-4-8(10-2)7(9)5-6;2*1-6-4-3-5-7(2)8(6)9;1-6-3-4-8-7(2)5-6/h3-10H,1-2H3;2-8H,1H3;2*2-8H,1H3;2-9H,1H3;2-7H,1H3;2-8H,1H3;2-10H,1H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;2-4H,1H3;2-5H,1H3;3-5H,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3
InChIKeyZRURTXPTHPPSQD-UHFFFAOYSA-N
XLogP59.05
TPSA168.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003283.90
LogP ≤ 559.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene with MolForge

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Related Compounds

5-[3-Chloro-4-[[4-(2-fluorophenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine-2-carboxylic acid
CID 16046872
3-[5-Chloro-4-[4-cyano-6-(trifluoromethyl)pyridin-3-yl]-2-[(2-methoxyphenyl)methylcarbamoyl]phenyl]propanoic acid
CID 68602516
3-[5-Chloro-4-[4-cyano-6-(trifluoromethyl)pyridin-3-yl]-2-[(2-methoxyphenyl)-methylcarbamoyl]phenyl]propanoic acid
CID 68602518
3-[5-Chloro-4-[4-cyano-6-(trifluoromethyl)pyridin-3-yl]-2-[(2-methoxy-6-methylphenyl)methylcarbamoyl]phenyl]propanoic acid
CID 68602642
3-[5-Chloro-4-[4-cyano-6-(trifluoromethyl)pyridin-3-yl]-2-[(2-methoxy-6-methylphenyl)-methylcarbamoyl]phenyl]propanoic acid
CID 68602646
ethyl 6-[4-[(2S)-2-(5-chloro-2-pyridinyl)-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-oxobutyl]phenoxy]hexanoate
CID 123956960
1-Chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-3-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;methane;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene
CID 157416535
2-(5-Acetyl-3-tert-butyl-2-fluorophenyl)benzonitrile;bis(1-tert-butyl-3-(2-chloro-5-methoxyphenyl)-2-fluorobenzene);1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;1-[2-tert-butyl-6-(2-chlorophenyl)-4-pyridinyl]ethanone;1-tert-butyl-3-[2-chloro-5-(trifluoromethoxy)phenyl]-2-fluorobenzene;1-[3-tert-butyl-4-fluoro-5-(2-fluorophenyl)phenyl]ethanone;1-[3-tert-butyl-4-fluoro-5-(2-methoxyphenyl)phenyl]ethanone;1-[3-(3-tert-butyl-2-fluorophenyl)-4-chlorophenyl]ethanone;1-[2-tert-butyl-6-(2-fluorophenyl)-4-pyridinyl]ethanone
CID 157438971
4-Chloro-2-methyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methoxy-4-propan-2-ylbenzene;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-ylpyridine-2-carboxylic acid
CID 157521954
2-Chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;methane;1-methoxy-4-propan-2-ylbenzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-ylpyridine-2-carboxylic acid
CID 157548413
1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;1-(fluoromethoxy)-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-1-propan-2-ylcyclopropane;3-propan-2-ylbenzoic acid;5-propan-2-yl-1H-indene;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157674915
1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1,4-dimethoxy-2-propan-2-ylbenzene;2,4-dimethylpentane;N,N-dimethyl-2-propan-2-ylaniline;1-ethoxy-2-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-3-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);1-methyl-1-propan-2-ylcyclopropane;5-propan-2-yl-1H-indene;1-(3-propan-2-ylphenyl)ethanone;1-propan-2-yl-2-propan-2-yloxybenzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157889015

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene (CID 162202843) is 1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene is CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1F.CC(=O)c1cccc(C)c1.CCOC(=O)c1ccccc1C.COC(=O)c1cc(-c2ccccc2)ccc1C.COc1ccc(C)cc1F.Cc1ccc(-c2ccc(F)cc2F)c(F)c1.Cc1ccc(-c2ccccc2)c(Cl)c1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2ccccc2Cl)c(C#N)c1.Cc1ccc(-c2ccccc2Cl)c(F)c1.Cc1ccc(-c2ccccc2F)c(Cl)c1.Cc1ccc(-c2ccccc2F)c(F)c1.Cc1ccc(Cl)c(C)c1.Cc1cccc(C)c1F.Cc1cccc(C)c1F.Cc1cccc(OC(F)(F)F)c1.Cc1cccc(OC(F)(F)F)c1F.Cc1ccnc(C)c1.
What is the InChIKey of 1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene?
The InChIKey is ZRURTXPTHPPSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.C14H10ClN.2C13H10ClF.C13H11Cl.C13H9F3.C13H10F2.C13H12.C10H12O2.C9H9FO.2C9H10O.C8H9Cl.C8H6F4O.C8H7F3O.C8H9FO.2C8H9F.C7H9N/c1-11-8-9-13(10-14(11)15(16)17-2)12-6-4-3-5-7-12;1-10-6-7-12(11(8-10)9-16)13-4-2-3-5-14(13)15;1-9-6-7-10(12(14)8-9)11-4-2-3-5-13(11)15;1-9-6-7-11(13(15)8-9)10-4-2-3-5-12(10)14;1-10-7-8-12(13(14)9-10)11-5-3-2-4-6-11;1-8-2-4-10(12(15)6-8)11-5-3-9(14)7-13(11)16;1-9-6-7-11(13(15)8-9)10-4-2-3-5-12(10)14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-3-12-10(11)9-7-5-4-6-8(9)2;1-6-3-4-8(7(2)11)9(10)5-6;1-7-3-5-9(6-4-7)8(2)10;1-7-4-3-5-9(6-7)8(2)10;1-6-3-4-8(9)7(2)5-6;1-5-3-2-4-6(7(5)9)13-8(10,11)12;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-3-4-8(10-2)7(9)5-6;2*1-6-4-3-5-7(2)8(6)9;1-6-3-4-8-7(2)5-6/h3-10H,1-2H3;2-8H,1H3;2*2-8H,1H3;2-9H,1H3;2-7H,1H3;2-8H,1H3;2-10H,1H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;2-4H,1H3;2-5H,1H3;3-5H,1-2H3;2*3-5H,1-2H3;3-5H,1-2H3.
What are the key properties of 1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene?
1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene has a molecular weight of 3283.90 g/mol, XLogP of 59.05, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-dimethylbenzene;2-chloro-1-(2-fluorophenyl)-4-methylbenzene;2-chloro-4-methyl-1-phenylbenzene;1-(2-chlorophenyl)-2-fluoro-4-methylbenzene;2-(2-chlorophenyl)-5-methylbenzonitrile;2,4-difluoro-1-(2-fluoro-4-methylphenyl)benzene;2,4-dimethylpyridine;ethyl 2-methylbenzoate;bis(2-fluoro-1,3-dimethylbenzene);2-fluoro-1-(2-fluorophenyl)-4-methylbenzene;2-fluoro-1-methoxy-4-methylbenzene;1-(2-fluoro-4-methylphenyl)ethanone;2-fluoro-1-methyl-3-(trifluoromethoxy)benzene;methyl 2-methyl-5-phenylbenzoate;1-methyl-4-phenylbenzene;1-(3-methylphenyl)ethanone;1-(4-methylphenyl)ethanone;1-methyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 162202843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).