1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene

C74H97F3O8 — CID 158671068

About 1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene

1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene (PubChem CID 158671068) has the molecular formula C74H97F3O8 and a molecular weight of 1171.58 g/mol. Its IUPAC name is 1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene.

Molecular Properties

• Compound Name: 1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
• PubChem CID: 158671068
• Molecular Formula: C74H97F3O8
• Molecular Weight: 1171.58 g/mol
• Exact Mass: 1170.71
• IUPAC Name: 1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
• SMILES: COc1cc(C)c(C)c(C)c1.COc1cc(C)cc(C)c1C.COc1cc(C)cc(OC)c1C.COc1ccc(C)c(C)c1.COc1cccc(C)c1C.COc1cccc(OC)c1C.Cc1cc(C)c(C)c(F)c1.Cc1cc(F)cc(F)c1C
• InChI: InChI=1S/C10H14O2.2C10H14O.C9H11F.C9H12O2.2C9H12O.C8H8F2/c1-7-5-9(11-3)8(2)10(6-7)12-4;1-7-5-10(11-4)6-8(2)9(7)3;1-7-5-8(2)9(3)10(6-7)11-4;1-6-4-7(2)8(3)9(10)5-6;1-7-8(10-2)5-4-6-9(7)11-3;1-7-4-5-9(10-3)6-8(7)2;1-7-5-4-6-9(10-3)8(7)2;1-5-3-7(9)4-8(10)6(5)2/h5-6H,1-4H3;2*5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;2*4-6H,1-3H3;3-4H,1-2H3
• InChIKey: IDYMNDUWHKTYGB-UHFFFAOYSA-N
• XLogP: 19.53
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1171.58
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene?

The IUPAC name of 1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene (CID 158671068) is 1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene.

What is the SMILES notation for 1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene?

The canonical SMILES for 1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene is COc1cc(C)c(C)c(C)c1.COc1cc(C)cc(C)c1C.COc1cc(C)cc(OC)c1C.COc1ccc(C)c(C)c1.COc1cccc(C)c1C.COc1cccc(OC)c1C.Cc1cc(C)c(C)c(F)c1.Cc1cc(F)cc(F)c1C.

What is the InChIKey of 1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene?

The InChIKey is IDYMNDUWHKTYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.2C10H14O.C9H11F.C9H12O2.2C9H12O.C8H8F2/c1-7-5-9(11-3)8(2)10(6-7)12-4;1-7-5-10(11-4)6-8(2)9(7)3;1-7-5-8(2)9(3)10(6-7)11-4;1-6-4-7(2)8(3)9(10)5-6;1-7-8(10-2)5-4-6-9(7)11-3;1-7-4-5-9(10-3)6-8(7)2;1-7-5-4-6-9(10-3)8(7)2;1-5-3-7(9)4-8(10)6(5)2/h5-6H,1-4H3;2*5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;2*4-6H,1-3H3;3-4H,1-2H3.

What are the key properties of 1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene?

1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene has a molecular weight of 1171.58 g/mol, XLogP of 19.53, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-difluoro-2,3-dimethylbenzene;1,3-dimethoxy-2,5-dimethylbenzene;1,3-dimethoxy-2-methylbenzene;1-fluoro-2,3,5-trimethylbenzene;1-methoxy-2,3-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2,3,5-trimethylbenzene;5-methoxy-1,2,3-trimethylbenzene is sourced from PubChem (CID 158671068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).