butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene

C205H253F7O15 — CID 158880664

About butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene

butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 158880664) has the molecular formula C205H253F7O15 and a molecular weight of 3090.25 g/mol. Its IUPAC name is butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
• PubChem CID: 158880664
• Molecular Formula: C205H253F7O15
• Molecular Weight: 3090.25 g/mol
• Exact Mass: 3087.89
• IUPAC Name: butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
• SMILES: CC(=O)c1ccccc1.CC(C)COc1ccccc1.CCCCc1ccccc1.CCCOc1ccc(C)cc1.CCCOc1cccc(C)c1.CCCOc1ccccc1.CCOCc1ccccc1.CCc1ccccc1C(C)=O.CCc1ccccc1OC.COc1cc(C)ccc1C.COc1ccc(C(C)=O)cc1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)cc1OC.Cc1cc(C)cc(F)c1.Cc1ccc(C)cc1.Cc1ccc(F)cc1C.Cc1cccc(C)c1.Cc1cccc(F)c1.Cc1cccc(F)c1C.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1F.Fc1ccc(F)cc1
• InChI: InChI=1S/2C10H14O.C10H12O.C10H14O.C10H14.C9H12O2.C9H10O2.6C9H12O.3C8H9F.C8H8O.3C8H10.2C7H7F.C7H8.C6H4F2/c1-9(2)8-11-10-6-4-3-5-7-10;1-3-8-11-10-6-4-9(2)5-7-10;1-3-9-6-4-5-7-10(9)8(2)11;1-3-7-11-10-6-4-5-9(2)8-10;1-2-3-7-10-8-5-4-6-9-10;1-7-4-5-8(10-2)9(6-7)11-3;1-7(10)8-3-5-9(11-2)6-4-8;2*1-7-4-5-9(10-3)6-8(7)2;1-7-4-5-8(2)9(6-7)10-3;1-3-8-6-4-5-7-9(8)10-2;1-2-10-8-9-6-4-3-5-7-9;1-2-8-10-9-6-4-3-5-7-9;1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-8(9)7(6)2;1-7(9)8-5-3-2-4-6-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;7-5-1-2-6(8)4-3-5/h3-7,9H,8H2,1-2H3;4-7H,3,8H2,1-2H3;4-7H,3H2,1-2H3;4-6,8H,3,7H2,1-2H3;4-6,8-9H,2-3,7H2,1H3;4-6H,1-3H3;3-6H,1-2H3;3*4-6H,1-3H3;4-7H,3H2,1-2H3;2*3-7H,2,8H2,1H3;3*3-5H,1-2H3;2-6H,1H3;3*3-6H,1-2H3;2*2-5H,1H3;2-6H,1H3;1-4H
• InChIKey: JCZJRAMWCSAMIG-UHFFFAOYSA-N
• XLogP: 55.93
• TPSA: 161.97 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3090.25
LogP ≤ 5	55.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene?

The IUPAC name of butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene (CID 158880664) is butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene.

What is the SMILES notation for butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene?

The canonical SMILES for butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene is CC(=O)c1ccccc1.CC(C)COc1ccccc1.CCCCc1ccccc1.CCCOc1ccc(C)cc1.CCCOc1cccc(C)c1.CCCOc1ccccc1.CCOCc1ccccc1.CCc1ccccc1C(C)=O.CCc1ccccc1OC.COc1cc(C)ccc1C.COc1ccc(C(C)=O)cc1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(C)cc1OC.Cc1cc(C)cc(F)c1.Cc1ccc(C)cc1.Cc1ccc(F)cc1C.Cc1cccc(C)c1.Cc1cccc(F)c1.Cc1cccc(F)c1C.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1F.Fc1ccc(F)cc1.

What is the InChIKey of butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene?

The InChIKey is JCZJRAMWCSAMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14O.C10H12O.C10H14O.C10H14.C9H12O2.C9H10O2.6C9H12O.3C8H9F.C8H8O.3C8H10.2C7H7F.C7H8.C6H4F2/c1-9(2)8-11-10-6-4-3-5-7-10;1-3-8-11-10-6-4-9(2)5-7-10;1-3-9-6-4-5-7-10(9)8(2)11;1-3-7-11-10-6-4-5-9(2)8-10;1-2-3-7-10-8-5-4-6-9-10;1-7-4-5-8(10-2)9(6-7)11-3;1-7(10)8-3-5-9(11-2)6-4-8;2*1-7-4-5-9(10-3)6-8(7)2;1-7-4-5-8(2)9(6-7)10-3;1-3-8-6-4-5-7-9(8)10-2;1-2-10-8-9-6-4-3-5-7-9;1-2-8-10-9-6-4-3-5-7-9;1-6-3-7(2)5-8(9)4-6;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-8(9)7(6)2;1-7(9)8-5-3-2-4-6-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;7-5-1-2-6(8)4-3-5/h3-7,9H,8H2,1-2H3;4-7H,3,8H2,1-2H3;4-7H,3H2,1-2H3;4-6,8H,3,7H2,1-2H3;4-6,8-9H,2-3,7H2,1H3;4-6H,1-3H3;3-6H,1-2H3;3*4-6H,1-3H3;4-7H,3H2,1-2H3;2*3-7H,2,8H2,1H3;3*3-5H,1-2H3;2-6H,1H3;3*3-6H,1-2H3;2*2-5H,1H3;2-6H,1H3;1-4H.

What are the key properties of butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene?

butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 3090.25 g/mol, XLogP of 55.93, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for butylbenzene;1,4-difluorobenzene;1,2-dimethoxy-4-methylbenzene;ethoxymethylbenzene;1-ethyl-2-methoxybenzene;1-(2-ethylphenyl)ethanone;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-methoxy-1,4-dimethylbenzene;bis(4-methoxy-1,2-dimethylbenzene);1-(4-methoxyphenyl)ethanone;1-methyl-3-propoxybenzene;1-methyl-4-propoxybenzene;2-methylpropoxybenzene;1-phenylethanone;propoxybenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 158880664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).