1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene

C124H161Cl2F2N5O2S2 — CID 157105047

About 1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene

1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene (PubChem CID 157105047) has the molecular formula C124H161Cl2F2N5O2S2 and a molecular weight of 1926.72 g/mol. Its IUPAC name is 1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene.

Molecular Properties

• Compound Name: 1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene
• PubChem CID: 157105047
• Molecular Formula: C124H161Cl2F2N5O2S2
• Molecular Weight: 1926.72 g/mol
• Exact Mass: 1924.14
• IUPAC Name: 1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene
• SMILES: C=C/C=C\C(=C)CC.CC1CCOCC1.CCCc1ccccc1.CCc1ccc(C#N)cc1.CCc1ccc(Cl)c(C)c1.CCc1ccc(Cl)cc1.CCc1ccc(F)cc1.CCc1ccc(F)cc1C.CCc1ccc(OC)cc1.CCc1ccccc1.CCc1ccccc1C.CCc1ccccn1.CCc1ccccn1.CCc1cccs1.CCc1ccncc1.CCc1cncs1
• InChI: InChI=1S/C9H11Cl.C9H11F.C9H9N.C9H12O.2C9H12.C8H9Cl.C8H9F.C8H10.C8H12.3C7H9N.C6H12O.C6H8S.C5H7NS/c1-3-8-4-5-9(10)7(2)6-8;1-3-8-4-5-9(10)6-7(8)2;1-2-8-3-5-9(7-10)6-4-8;1-3-8-4-6-9(10-2)7-5-8;1-3-9-7-5-4-6-8(9)2;1-2-6-9-7-4-3-5-8-9;2*1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8;1-4-6-7-8(3)5-2;1-2-7-3-5-8-6-4-7;2*1-2-7-5-3-4-6-8-7;1-6-2-4-7-5-3-6;1-2-6-4-3-5-7-6;1-2-5-3-6-4-7-5/h2*4-6H,3H2,1-2H3;3-6H,2H2,1H3;4-7H,3H2,1-2H3;4-7H,3H2,1-2H3;3-5,7-8H,2,6H2,1H3;2*3-6H,2H2,1H3;3-7H,2H2,1H3;4,6-7H,1,3,5H2,2H3;3*3-6H,2H2,1H3;6H,2-5H2,1H3;3-5H,2H2,1H3;3-4H,2H2,1H3/b;;;;;;;;;7-6-
• InChIKey: AGEXDIDWGATBEQ-NYOHKHEWSA-N
• XLogP: 36.10
• TPSA: 93.81 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1926.72
LogP ≤ 5	36.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene?

The IUPAC name of 1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene (CID 157105047) is 1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene.

What is the SMILES notation for 1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene?

The canonical SMILES for 1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene is C=C/C=C\C(=C)CC.CC1CCOCC1.CCCc1ccccc1.CCc1ccc(C#N)cc1.CCc1ccc(Cl)c(C)c1.CCc1ccc(Cl)cc1.CCc1ccc(F)cc1.CCc1ccc(F)cc1C.CCc1ccc(OC)cc1.CCc1ccccc1.CCc1ccccc1C.CCc1ccccn1.CCc1ccccn1.CCc1cccs1.CCc1ccncc1.CCc1cncs1.

What is the InChIKey of 1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene?

The InChIKey is AGEXDIDWGATBEQ-NYOHKHEWSA-N. The full InChI is InChI=1S/C9H11Cl.C9H11F.C9H9N.C9H12O.2C9H12.C8H9Cl.C8H9F.C8H10.C8H12.3C7H9N.C6H12O.C6H8S.C5H7NS/c1-3-8-4-5-9(10)7(2)6-8;1-3-8-4-5-9(10)6-7(8)2;1-2-8-3-5-9(7-10)6-4-8;1-3-8-4-6-9(10-2)7-5-8;1-3-9-7-5-4-6-8(9)2;1-2-6-9-7-4-3-5-8-9;2*1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8;1-4-6-7-8(3)5-2;1-2-7-3-5-8-6-4-7;2*1-2-7-5-3-4-6-8-7;1-6-2-4-7-5-3-6;1-2-6-4-3-5-7-6;1-2-5-3-6-4-7-5/h2*4-6H,3H2,1-2H3;3-6H,2H2,1H3;4-7H,3H2,1-2H3;4-7H,3H2,1-2H3;3-5,7-8H,2,6H2,1H3;2*3-6H,2H2,1H3;3-7H,2H2,1H3;4,6-7H,1,3,5H2,2H3;3*3-6H,2H2,1H3;6H,2-5H2,1H3;3-5H,2H2,1H3;3-4H,2H2,1H3/b;;;;;;;;;7-6-;;;;;;.

What are the key properties of 1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene?

1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene has a molecular weight of 1926.72 g/mol, XLogP of 36.10, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene is sourced from PubChem (CID 157105047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).