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

C244H273Cl3F23N11O8 — CID 158614820

IUPAC1-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
SMILESCCOC(=O)c1ccc(CC)cc1.CCc1c(F)c(F)c(F)c(F)c1F.CCc1c(F)c(F)cc(F)c1F.CCc1c(F)cc(F)c(F)c1F.CCc1cc(F)c(F)c(F)c1F.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.C9H9F3.3C9H9N.4C9H12.3C8H9Cl.C8H5F5.3C8H6F4.3C8H9F.3C8H9NO2.2C8H11N.C8H10.3C7H9N/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;1-2-7-5-3-4-6-8(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;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;1-2-3-4(9)6(11)8(13)7(12)5(3)10;1-2-4-7(11)5(9)3-6(10)8(4)12;1-2-4-5(9)3-6(10)8(12)7(4)11;1-2-4-3-5(9)7(11)8(12)6(4)10;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/h3-9H,2H2,1H3;5-8H,3-4H2,1-2H3;3-6H,2H2,1H3;2*4-7H,3H2,1H3;3-6H,2H2,1H3;4*4-7H,3H2,1-2H3;3*3-6H,2H2,1H3;2H2,1H3;3*3H,2H2,1H3;3*3-6H,2H2,1H3;3*3-6H,2H2,1H3;2*3-6H,2,9H2,1H3;3-7H,2H2,1H3;3*3-6H,2H2,1H3
InChIKeyHXGLQUWHXINOMU-UHFFFAOYSA-N
MW4031.25 g/mol
LogP71.59
Rot. Bonds34

About 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

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 (PubChem CID 158614820) has the molecular formula C244H273Cl3F23N11O8 and a molecular weight of 4031.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158614820
Molecular FormulaC244H273Cl3F23N11O8
Molecular Weight4031.25 g/mol
Exact Mass4027.00
IUPAC Name1-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
SMILESCCOC(=O)c1ccc(CC)cc1.CCc1c(F)c(F)c(F)c(F)c1F.CCc1c(F)c(F)cc(F)c1F.CCc1c(F)cc(F)c(F)c1F.CCc1cc(F)c(F)c(F)c1F.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.C9H9F3.3C9H9N.4C9H12.3C8H9Cl.C8H5F5.3C8H6F4.3C8H9F.3C8H9NO2.2C8H11N.C8H10.3C7H9N/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;1-2-7-5-3-4-6-8(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;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;1-2-3-4(9)6(11)8(13)7(12)5(3)10;1-2-4-7(11)5(9)3-6(10)8(4)12;1-2-4-5(9)3-6(10)8(12)7(4)11;1-2-4-3-5(9)7(11)8(12)6(4)10;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/h3-9H,2H2,1H3;5-8H,3-4H2,1-2H3;3-6H,2H2,1H3;2*4-7H,3H2,1H3;3-6H,2H2,1H3;4*4-7H,3H2,1-2H3;3*3-6H,2H2,1H3;2H2,1H3;3*3H,2H2,1H3;3*3-6H,2H2,1H3;3*3-6H,2H2,1H3;2*3-6H,2,9H2,1H3;3-7H,2H2,1H3;3*3-6H,2H2,1H3
InChIKeyHXGLQUWHXINOMU-UHFFFAOYSA-N
XLogP71.59
TPSA278.94 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds34
Heavy Atoms289
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004031.25
LogP ≤ 571.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1ccc(CC)cc1.CCc1c(F)c(F)c(F)c(F)c1F.CCc1c(F)c(F)cc(F)c1F.CCc1c(F)cc(F)c(F)c1F.CCc1cc(F)c(F)c(F)c1F.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;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?
The InChIKey is HXGLQUWHXINOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C11H14O2.C9H9F3.3C9H9N.4C9H12.3C8H9Cl.C8H5F5.3C8H6F4.3C8H9F.3C8H9NO2.2C8H11N.C8H10.3C7H9N/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;1-2-7-5-3-4-6-8(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;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;1-2-3-4(9)6(11)8(13)7(12)5(3)10;1-2-4-7(11)5(9)3-6(10)8(4)12;1-2-4-5(9)3-6(10)8(12)7(4)11;1-2-4-3-5(9)7(11)8(12)6(4)10;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/h3-9H,2H2,1H3;5-8H,3-4H2,1-2H3;3-6H,2H2,1H3;2*4-7H,3H2,1H3;3-6H,2H2,1H3;4*4-7H,3H2,1-2H3;3*3-6H,2H2,1H3;2H2,1H3;3*3H,2H2,1H3;3*3-6H,2H2,1H3;3*3-6H,2H2,1H3;2*3-6H,2,9H2,1H3;3-7H,2H2,1H3;3*3-6H,2H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 4031.25 g/mol, XLogP of 71.59, 34 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;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 is sourced from PubChem (CID 158614820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).