1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene

C96H103F2N5O5S2 — CID 158794103

About 1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene

1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene (PubChem CID 158794103) has the molecular formula C96H103F2N5O5S2 and a molecular weight of 1509.04 g/mol. Its IUPAC name is 1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene.

Molecular Properties

• Compound Name: 1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene
• PubChem CID: 158794103
• Molecular Formula: C96H103F2N5O5S2
• Molecular Weight: 1509.04 g/mol
• Exact Mass: 1507.74
• IUPAC Name: 1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene
• SMILES: COc1ccc(C)cc1.COc1ccc(C)cn1.Cc1cc2ccccc2s1.Cc1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccc(C(=O)N2CCOCC2)s1.Cc1ccc(F)c(-c2ccccc2)c1.Cc1ccc(F)cc1.Cc1ccc(N2CCOCC2)cc1.Cc1ccccc1
• InChI: InChI=1S/C13H11F.2C12H11N.C11H15NO.C10H13NO2S.C9H8S.C8H10O.C7H7F.C7H9NO.C7H8/c1-10-7-8-13(14)12(9-10)11-5-3-2-4-6-11;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-8-2-3-9(14-8)10(12)11-4-6-13-7-5-11;1-7-6-8-4-2-3-5-9(8)10-7;1-7-3-5-8(9-2)6-4-7;1-6-2-4-7(8)5-3-6;1-6-3-4-7(9-2)8-5-6;1-7-5-3-2-4-6-7/h2-9H,1H3;2*2-9H,1H3;2-5H,6-9H2,1H3;2-3H,4-7H2,1H3;2-6H,1H3;3-6H,1-2H3;2-5H,1H3;3-5H,1-2H3;2-6H,1H3
• InChIKey: ISQNXOVSOUYIGY-UHFFFAOYSA-N
• XLogP: 24.02
• TPSA: 99.14 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1509.04
LogP ≤ 5	24.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene?

The IUPAC name of 1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene (CID 158794103) is 1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene.

What is the SMILES notation for 1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene?

The canonical SMILES for 1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene is COc1ccc(C)cc1.COc1ccc(C)cn1.Cc1cc2ccccc2s1.Cc1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccc(C(=O)N2CCOCC2)s1.Cc1ccc(F)c(-c2ccccc2)c1.Cc1ccc(F)cc1.Cc1ccc(N2CCOCC2)cc1.Cc1ccccc1.

What is the InChIKey of 1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene?

The InChIKey is ISQNXOVSOUYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F.2C12H11N.C11H15NO.C10H13NO2S.C9H8S.C8H10O.C7H7F.C7H9NO.C7H8/c1-10-7-8-13(14)12(9-10)11-5-3-2-4-6-11;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-8-2-3-9(14-8)10(12)11-4-6-13-7-5-11;1-7-6-8-4-2-3-5-9(8)10-7;1-7-3-5-8(9-2)6-4-7;1-6-2-4-7(8)5-3-6;1-6-3-4-7(9-2)8-5-6;1-7-5-3-2-4-6-7/h2-9H,1H3;2*2-9H,1H3;2-5H,6-9H2,1H3;2-3H,4-7H2,1H3;2-6H,1H3;3-6H,1-2H3;2-5H,1H3;3-5H,1-2H3;2-6H,1H3.

What are the key properties of 1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene?

1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene has a molecular weight of 1509.04 g/mol, XLogP of 24.02, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-4-methylbenzene;1-fluoro-4-methyl-2-phenylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;2-methyl-1-benzothiophene;4-(4-methylphenyl)morpholine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine;(5-methylthiophen-2-yl)-morpholin-4-ylmethanone;toluene is sourced from PubChem (CID 158794103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).