1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene

C274H329Cl3F19N11O8 — CID 162259530

IUPAC1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene
SMILESC=C(C)C.CC.CC.CCOC(=O)c1ccc(CC)cc1.CCc1c(C)c(F)c(F)c(F)c1F.CCc1c(C)c(F)cc(F)c1F.CCc1c(C)cc(F)c(F)c1F.CCc1cc(F)c(F)c(F)c1C.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(Cl)cc1.CCc1ccc(F)cc1.CCc1ccc([N+](=O)[O-])cc1.CCc1ccc2ccccc2c1.CCc1cccc(C)c1.CCc1cccc(C)c1.CCc1cccc(Cl)c1.CCc1cccc(F)c1.CCc1cccc(N)c1.CCc1cccc([N+](=O)[O-])c1.CCc1ccccc1.CCc1ccccc1C.CCc1ccccc1C#N.CCc1ccccc1C(F)(F)F.CCc1ccccc1Cl.CCc1ccccc1F.CCc1ccccc1N.CCc1ccccc1[N+](=O)[O-].CCc1ccccn1.CCc1cccnc1.CCc1ccncc1.[C-]#[N+]c1ccc(CC)cc1.[C-]#[N+]c1cccc(CC)c1
InChIInChI=1S/C12H12.C11H14O2.C9H8F4.4C9H9F3.3C9H9N.6C9H12.3C8H9Cl.3C8H9F.3C8H9NO2.2C8H11N.C8H10.3C7H9N.C4H8.2C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-3-9-5-7-10(8-6-9)11(12)13-4-2;1-3-5-4(2)6(10)8(12)9(13)7(5)11;1-3-6-5(2)7(10)4-8(11)9(6)12;1-3-6-4-7(10)9(12)8(11)5(6)2;1-3-6-5(2)4-7(10)9(12)8(6)11;1-2-7-5-3-4-6-8(7)9(10,11)12;1-3-8-4-6-9(10-2)7-5-8;1-3-8-5-4-6-9(7-8)10-2;1-2-8-5-3-4-6-9(8)7-10;3*1-3-9-6-4-8(2)5-7-9;2*1-3-9-6-4-5-8(2)7-9;1-3-9-7-5-4-6-8(9)2;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-7-3-5-8(6-4-7)9(10)11;1-2-7-4-3-5-8(6-7)9(10)11;1-2-7-5-3-4-6-8(7)9(10)11;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7;1-4(2)3;2*1-2/h3-9H,2H2,1H3;5-8H,3-4H2,1-2H3;3H2,1-2H3;3*4H,3H2,1-2H3;3-6H,2H2,1H3;2*4-7H,3H2,1H3;3-6H,2H2,1H3;6*4-7H,3H2,1-2H3;6*3-6H,2H2,1H3;3*3-6H,2H2,1H3;2*3-6H,2,9H2,1H3;3-7H,2H2,1H3;3*3-6H,2H2,1H3;1H2,2-3H3;2*1-2H3
InChIKeyZZAWEDBDLYEMCW-UHFFFAOYSA-N
MW4372.04 g/mol
LogP81.02
Rot. Bonds36

About 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene

1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene (PubChem CID 162259530) has the molecular formula C274H329Cl3F19N11O8 and a molecular weight of 4372.04 g/mol. Its IUPAC name is 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene.

Molecular Properties

Compound Name1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene
PubChem CID162259530
Molecular FormulaC274H329Cl3F19N11O8
Molecular Weight4372.04 g/mol
Exact Mass4367.44
IUPAC Name1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene
SMILESC=C(C)C.CC.CC.CCOC(=O)c1ccc(CC)cc1.CCc1c(C)c(F)c(F)c(F)c1F.CCc1c(C)c(F)cc(F)c1F.CCc1c(C)cc(F)c(F)c1F.CCc1cc(F)c(F)c(F)c1C.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(Cl)cc1.CCc1ccc(F)cc1.CCc1ccc([N+](=O)[O-])cc1.CCc1ccc2ccccc2c1.CCc1cccc(C)c1.CCc1cccc(C)c1.CCc1cccc(Cl)c1.CCc1cccc(F)c1.CCc1cccc(N)c1.CCc1cccc([N+](=O)[O-])c1.CCc1ccccc1.CCc1ccccc1C.CCc1ccccc1C#N.CCc1ccccc1C(F)(F)F.CCc1ccccc1Cl.CCc1ccccc1F.CCc1ccccc1N.CCc1ccccc1[N+](=O)[O-].CCc1ccccn1.CCc1cccnc1.CCc1ccncc1.[C-]#[N+]c1ccc(CC)cc1.[C-]#[N+]c1cccc(CC)c1
InChIInChI=1S/C12H12.C11H14O2.C9H8F4.4C9H9F3.3C9H9N.6C9H12.3C8H9Cl.3C8H9F.3C8H9NO2.2C8H11N.C8H10.3C7H9N.C4H8.2C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-3-9-5-7-10(8-6-9)11(12)13-4-2;1-3-5-4(2)6(10)8(12)9(13)7(5)11;1-3-6-5(2)7(10)4-8(11)9(6)12;1-3-6-4-7(10)9(12)8(11)5(6)2;1-3-6-5(2)4-7(10)9(12)8(6)11;1-2-7-5-3-4-6-8(7)9(10,11)12;1-3-8-4-6-9(10-2)7-5-8;1-3-8-5-4-6-9(7-8)10-2;1-2-8-5-3-4-6-9(8)7-10;3*1-3-9-6-4-8(2)5-7-9;2*1-3-9-6-4-5-8(2)7-9;1-3-9-7-5-4-6-8(9)2;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-7-3-5-8(6-4-7)9(10)11;1-2-7-4-3-5-8(6-7)9(10)11;1-2-7-5-3-4-6-8(7)9(10)11;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7;1-4(2)3;2*1-2/h3-9H,2H2,1H3;5-8H,3-4H2,1-2H3;3H2,1-2H3;3*4H,3H2,1-2H3;3-6H,2H2,1H3;2*4-7H,3H2,1H3;3-6H,2H2,1H3;6*4-7H,3H2,1-2H3;6*3-6H,2H2,1H3;3*3-6H,2H2,1H3;2*3-6H,2,9H2,1H3;3-7H,2H2,1H3;3*3-6H,2H2,1H3;1H2,2-3H3;2*1-2H3
InChIKeyZZAWEDBDLYEMCW-UHFFFAOYSA-N
XLogP81.02
TPSA278.94 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds36
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004372.04
LogP ≤ 581.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene with MolForge

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Related Compounds

5-amino-2-(2-fluoro-3-pyridinyl)isoquinolin-1-one;2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(2-fluoro-3-pyridinyl)-1-oxoisoquinolin-5-yl]acetamide;2-(2-fluoro-3-pyridinyl)-5-nitroisoquinolin-1-one;5-nitroisochromen-1-one
CID 157089845
1-Chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;2-ethylaniline;3-ethylaniline;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;bis(1-ethyl-3-methylbenzene);1-ethyl-4-methylbenzene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethoxy)benzene;methyl 3-ethylbenzoate;methyl 4-ethylbenzoate;bis(1,4-xylene)
CID 158292365
1-Chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;1-ethyl-2,3,4,5,6-pentafluorobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluorobenzene;2-ethyl-1,3,4,5-tetrafluorobenzene;3-ethyl-1,2,4,5-tetrafluorobenzene;1-ethyl-2-(trifluoromethyl)benzene
CID 158614820
1-Chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;2-ethylaniline;3-ethylaniline;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethoxy)benzene;methyl 3-ethylbenzoate;methyl 4-ethylbenzoate
CID 158783433
1-Chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);1-ethyl-4-methylbenzene;2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;bis(prop-1-ene)
CID 158885023
1-Chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;2-ethylaniline;3-ethylaniline;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;bis(1-ethyl-3-methylbenzene);bis(1-ethyl-4-methylbenzene);1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethoxy)benzene;methyl 3-ethylbenzoate;methyl 4-ethylbenzoate;1,4-xylene
CID 159452153
5-amino-2-(2-methyl-3-pyridinyl)isoquinolin-1-one;2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(2-methyl-3-pyridinyl)-1-oxoisoquinolin-5-yl]acetamide;2-(2-methyl-3-pyridinyl)-5-nitroisoquinolin-1-one;5-nitroisochromen-1-one
CID 160010241
1-Chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;2-ethylaniline;3-ethylaniline;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-4-fluoro-2-(trifluoromethyl)benzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-4-(1-methoxyethenyl)benzene;bis(1-ethyl-3-methylbenzene);bis(1-ethyl-4-methylbenzene);1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;1-ethyl-2-(trifluoromethoxy)benzene;methyl 3-ethylbenzoate;1,4-xylene
CID 161547153
5-amino-2-(pyridin-2-ylmethyl)isoquinolin-1-one;2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[1-oxo-2-(pyridin-2-ylmethyl)isoquinolin-5-yl]acetamide;5-nitroisochromen-1-one;5-nitro-2-(pyridin-2-ylmethyl)isoquinolin-1-one
CID 161876610

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene?
The IUPAC name of 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene (CID 162259530) is 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene.
What is the SMILES notation for 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene?
The canonical SMILES for 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene is C=C(C)C.CC.CC.CCOC(=O)c1ccc(CC)cc1.CCc1c(C)c(F)c(F)c(F)c1F.CCc1c(C)c(F)cc(F)c1F.CCc1c(C)cc(F)c(F)c1F.CCc1cc(F)c(F)c(F)c1C.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(Cl)cc1.CCc1ccc(F)cc1.CCc1ccc([N+](=O)[O-])cc1.CCc1ccc2ccccc2c1.CCc1cccc(C)c1.CCc1cccc(C)c1.CCc1cccc(Cl)c1.CCc1cccc(F)c1.CCc1cccc(N)c1.CCc1cccc([N+](=O)[O-])c1.CCc1ccccc1.CCc1ccccc1C.CCc1ccccc1C#N.CCc1ccccc1C(F)(F)F.CCc1ccccc1Cl.CCc1ccccc1F.CCc1ccccc1N.CCc1ccccc1[N+](=O)[O-].CCc1ccccn1.CCc1cccnc1.CCc1ccncc1.[C-]#[N+]c1ccc(CC)cc1.[C-]#[N+]c1cccc(CC)c1.
What is the InChIKey of 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene?
The InChIKey is ZZAWEDBDLYEMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C11H14O2.C9H8F4.4C9H9F3.3C9H9N.6C9H12.3C8H9Cl.3C8H9F.3C8H9NO2.2C8H11N.C8H10.3C7H9N.C4H8.2C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-3-9-5-7-10(8-6-9)11(12)13-4-2;1-3-5-4(2)6(10)8(12)9(13)7(5)11;1-3-6-5(2)7(10)4-8(11)9(6)12;1-3-6-4-7(10)9(12)8(11)5(6)2;1-3-6-5(2)4-7(10)9(12)8(6)11;1-2-7-5-3-4-6-8(7)9(10,11)12;1-3-8-4-6-9(10-2)7-5-8;1-3-8-5-4-6-9(7-8)10-2;1-2-8-5-3-4-6-9(8)7-10;3*1-3-9-6-4-8(2)5-7-9;2*1-3-9-6-4-5-8(2)7-9;1-3-9-7-5-4-6-8(9)2;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-7-3-5-8(6-4-7)9(10)11;1-2-7-4-3-5-8(6-7)9(10)11;1-2-7-5-3-4-6-8(7)9(10)11;1-2-7-4-3-5-8(9)6-7;1-2-7-5-3-4-6-8(7)9;1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7;1-4(2)3;2*1-2/h3-9H,2H2,1H3;5-8H,3-4H2,1-2H3;3H2,1-2H3;3*4H,3H2,1-2H3;3-6H,2H2,1H3;2*4-7H,3H2,1H3;3-6H,2H2,1H3;6*4-7H,3H2,1-2H3;6*3-6H,2H2,1H3;3*3-6H,2H2,1H3;2*3-6H,2,9H2,1H3;3-7H,2H2,1H3;3*3-6H,2H2,1H3;1H2,2-3H3;2*1-2H3.
What are the key properties of 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene?
1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene has a molecular weight of 4372.04 g/mol, XLogP of 81.02, 36 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;1-chloro-4-ethylbenzene;ethane;2-ethylaniline;3-ethylaniline;ethylbenzene;2-ethylbenzonitrile;ethyl 4-ethylbenzoate;1-ethyl-2-fluorobenzene;1-ethyl-3-fluorobenzene;1-ethyl-4-fluorobenzene;1-ethyl-3-isocyanobenzene;1-ethyl-4-isocyanobenzene;1-ethyl-2-methylbenzene;bis(1-ethyl-3-methylbenzene);tris(1-ethyl-4-methylbenzene);2-ethylnaphthalene;1-ethyl-2-nitrobenzene;1-ethyl-3-nitrobenzene;1-ethyl-4-nitrobenzene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;1-ethyl-2,3,4,5-tetrafluoro-6-methylbenzene;1-ethyl-2-(trifluoromethyl)benzene;1-ethyl-3,4,5-trifluoro-2-methylbenzene;3-ethyl-1,2,5-trifluoro-4-methylbenzene;4-ethyl-1,2,3-trifluoro-5-methylbenzene;2-methylprop-1-ene is sourced from PubChem (CID 162259530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).