2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol

C96H123ClN2O6S3 — CID 157459528

IUPAC2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol
SMILESCCc1c(C)cccc1C.CCc1ccc(Cl)nc1.CCc1ccc(O)cc1.CCc1ccc(OC)cc1.CCc1ccc(S(C)(=O)=O)cc1.CCc1ccc(S(C)=O)cc1.CCc1ccc(SC)cc1.CCc1cccc(C#N)c1.CCc1cccc(OC)c1.CCc1ccccc1.CCc1ccccc1C
InChIInChI=1S/C10H14.C9H9N.C9H12O2S.C9H12OS.2C9H12O.C9H12S.C9H12.C8H10O.C8H10.C7H8ClN/c1-4-10-8(2)6-5-7-9(10)3;1-2-8-4-3-5-9(6-8)7-10;1-3-8-4-6-9(7-5-8)12(2,10)11;1-3-8-4-6-9(7-5-8)11(2)10;1-3-8-4-6-9(10-2)7-5-8;1-3-8-5-4-6-9(7-8)10-2;1-3-8-4-6-9(10-2)7-5-8;1-3-9-7-5-4-6-8(9)2;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8;1-2-6-3-4-7(8)9-5-6/h5-7H,4H2,1-3H3;3-6H,2H2,1H3;4-7H,3H2,1-2H3;4-7H,3H2,1-2H3;3*4-7H,3H2,1-2H3;4-7H,3H2,1-2H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3;3-5H,2H2,1H3
InChIKeyBTTJYKNYSDDGIJ-UHFFFAOYSA-N
MW1532.70 g/mol
LogP25.17
Rot. Bonds16

About 2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol

2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol (PubChem CID 157459528) has the molecular formula C96H123ClN2O6S3 and a molecular weight of 1532.70 g/mol. Its IUPAC name is 2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol.

Molecular Properties

Compound Name2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol
PubChem CID157459528
Molecular FormulaC96H123ClN2O6S3
Molecular Weight1532.70 g/mol
Exact Mass1530.82
IUPAC Name2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol
SMILESCCc1c(C)cccc1C.CCc1ccc(Cl)nc1.CCc1ccc(O)cc1.CCc1ccc(OC)cc1.CCc1ccc(S(C)(=O)=O)cc1.CCc1ccc(S(C)=O)cc1.CCc1ccc(SC)cc1.CCc1cccc(C#N)c1.CCc1cccc(OC)c1.CCc1ccccc1.CCc1ccccc1C
InChIInChI=1S/C10H14.C9H9N.C9H12O2S.C9H12OS.2C9H12O.C9H12S.C9H12.C8H10O.C8H10.C7H8ClN/c1-4-10-8(2)6-5-7-9(10)3;1-2-8-4-3-5-9(6-8)7-10;1-3-8-4-6-9(7-5-8)12(2,10)11;1-3-8-4-6-9(7-5-8)11(2)10;1-3-8-4-6-9(10-2)7-5-8;1-3-8-5-4-6-9(7-8)10-2;1-3-8-4-6-9(10-2)7-5-8;1-3-9-7-5-4-6-8(9)2;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8;1-2-6-3-4-7(8)9-5-6/h5-7H,4H2,1-3H3;3-6H,2H2,1H3;4-7H,3H2,1-2H3;4-7H,3H2,1-2H3;3*4-7H,3H2,1-2H3;4-7H,3H2,1-2H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3;3-5H,2H2,1H3
InChIKeyBTTJYKNYSDDGIJ-UHFFFAOYSA-N
XLogP25.17
TPSA126.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001532.70
LogP ≤ 525.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol?
The IUPAC name of 2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol (CID 157459528) is 2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol.
What is the SMILES notation for 2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol?
The canonical SMILES for 2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol is CCc1c(C)cccc1C.CCc1ccc(Cl)nc1.CCc1ccc(O)cc1.CCc1ccc(OC)cc1.CCc1ccc(S(C)(=O)=O)cc1.CCc1ccc(S(C)=O)cc1.CCc1ccc(SC)cc1.CCc1cccc(C#N)c1.CCc1cccc(OC)c1.CCc1ccccc1.CCc1ccccc1C.
What is the InChIKey of 2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol?
The InChIKey is BTTJYKNYSDDGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H9N.C9H12O2S.C9H12OS.2C9H12O.C9H12S.C9H12.C8H10O.C8H10.C7H8ClN/c1-4-10-8(2)6-5-7-9(10)3;1-2-8-4-3-5-9(6-8)7-10;1-3-8-4-6-9(7-5-8)12(2,10)11;1-3-8-4-6-9(7-5-8)11(2)10;1-3-8-4-6-9(10-2)7-5-8;1-3-8-5-4-6-9(7-8)10-2;1-3-8-4-6-9(10-2)7-5-8;1-3-9-7-5-4-6-8(9)2;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8;1-2-6-3-4-7(8)9-5-6/h5-7H,4H2,1-3H3;3-6H,2H2,1H3;4-7H,3H2,1-2H3;4-7H,3H2,1-2H3;3*4-7H,3H2,1-2H3;4-7H,3H2,1-2H3;3-6,9H,2H2,1H3;3-7H,2H2,1H3;3-5H,2H2,1H3.
What are the key properties of 2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol?
2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol has a molecular weight of 1532.70 g/mol, XLogP of 25.17, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethylpyridine;ethylbenzene;3-ethylbenzonitrile;2-ethyl-1,3-dimethylbenzene;1-ethyl-3-methoxybenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;1-ethyl-4-methylsulfanylbenzene;1-ethyl-4-methylsulfinylbenzene;1-ethyl-4-methylsulfonylbenzene;4-ethylphenol is sourced from PubChem (CID 157459528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).