1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol

C145H158BrCl4F12N5O23 — CID 157238591

About 1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol

1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol (PubChem CID 157238591) has the molecular formula C145H158BrCl4F12N5O23 and a molecular weight of 2788.56 g/mol. Its IUPAC name is 1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol.

Molecular Properties

• Compound Name: 1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol
• PubChem CID: 157238591
• Molecular Formula: C145H158BrCl4F12N5O23
• Molecular Weight: 2788.56 g/mol
• Exact Mass: 2783.91
• IUPAC Name: 1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol
• SMILES: COc1cc(CO)c(OC)c(OC)c1.COc1ccc(C(C)=O)cc1.COc1ccc(C(F)(F)F)cc1.COc1ccc(C)c(C)c1.COc1ccc(C)cc1.COc1ccc(C)cc1C.COc1ccc(Cl)c(Cl)c1.COc1ccc(Cl)cc1.COc1ccc([N+](=O)[O-])cc1.COc1cccc(Br)c1.COc1cccc(Cl)c1.COc1ccccc1C.Cc1ccc(OC(F)(F)F)cc1.Cc1cccc(OC(F)(F)F)c1.Cc1ccccc1OC(F)(F)F.Cc1ccccc1[N+](=O)[O-].Cc1ccccn1.Cc1cccnc1.Cc1ccncc1
• InChI: InChI=1S/C10H14O4.C9H10O2.2C9H12O.4C8H7F3O.2C8H10O.C7H7BrO.C7H6Cl2O.2C7H7ClO.C7H7NO3.C7H7NO2.3C6H7N/c1-12-8-4-7(6-11)10(14-3)9(5-8)13-2;1-7(10)8-3-5-9(11-2)6-4-8;1-7-4-5-9(10-3)6-8(7)2;1-7-4-5-9(10-3)8(2)6-7;1-12-7-4-2-6(3-5-7)8(9,10)11;1-6-2-4-7(5-3-6)12-8(9,10)11;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-4-2-3-5-7(6)12-8(9,10)11;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)9-2;1-9-7-4-2-3-6(8)5-7;1-10-5-2-3-6(8)7(9)4-5;1-9-7-4-2-6(8)3-5-7;1-9-7-4-2-3-6(8)5-7;1-11-7-4-2-6(3-5-7)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h4-5,11H,6H2,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;4*2-5H,1H3;2*3-6H,1-2H3;2-5H,1H3;2-4H,1H3;2*2-5H,1H3;2-5H,1H3;2-5H,1H3;3*2-5H,1H3
• InChIKey: AUYAOZMEEHALGF-UHFFFAOYSA-N
• XLogP: 40.96
• TPSA: 319.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2788.56
LogP ≤ 5	40.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol?

The IUPAC name of 1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol (CID 157238591) is 1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol.

What is the SMILES notation for 1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol?

The canonical SMILES for 1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol is COc1cc(CO)c(OC)c(OC)c1.COc1ccc(C(C)=O)cc1.COc1ccc(C(F)(F)F)cc1.COc1ccc(C)c(C)c1.COc1ccc(C)cc1.COc1ccc(C)cc1C.COc1ccc(Cl)c(Cl)c1.COc1ccc(Cl)cc1.COc1ccc([N+](=O)[O-])cc1.COc1cccc(Br)c1.COc1cccc(Cl)c1.COc1ccccc1C.Cc1ccc(OC(F)(F)F)cc1.Cc1cccc(OC(F)(F)F)c1.Cc1ccccc1OC(F)(F)F.Cc1ccccc1[N+](=O)[O-].Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.

What is the InChIKey of 1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol?

The InChIKey is AUYAOZMEEHALGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.C9H10O2.2C9H12O.4C8H7F3O.2C8H10O.C7H7BrO.C7H6Cl2O.2C7H7ClO.C7H7NO3.C7H7NO2.3C6H7N/c1-12-8-4-7(6-11)10(14-3)9(5-8)13-2;1-7(10)8-3-5-9(11-2)6-4-8;1-7-4-5-9(10-3)6-8(7)2;1-7-4-5-9(10-3)8(2)6-7;1-12-7-4-2-6(3-5-7)8(9,10)11;1-6-2-4-7(5-3-6)12-8(9,10)11;1-6-3-2-4-7(5-6)12-8(9,10)11;1-6-4-2-3-5-7(6)12-8(9,10)11;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)9-2;1-9-7-4-2-3-6(8)5-7;1-10-5-2-3-6(8)7(9)4-5;1-9-7-4-2-6(8)3-5-7;1-9-7-4-2-3-6(8)5-7;1-11-7-4-2-6(3-5-7)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h4-5,11H,6H2,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;4*2-5H,1H3;2*3-6H,1-2H3;2-5H,1H3;2-4H,1H3;2*2-5H,1H3;2-5H,1H3;2-5H,1H3;3*2-5H,1H3.

What are the key properties of 1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol?

1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol has a molecular weight of 2788.56 g/mol, XLogP of 40.96, 21 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-methoxybenzene;1-chloro-3-methoxybenzene;1-chloro-4-methoxybenzene;1,2-dichloro-4-methoxybenzene;1-methoxy-2,4-dimethylbenzene;4-methoxy-1,2-dimethylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;1-methoxy-4-nitrobenzene;1-(4-methoxyphenyl)ethanone;1-methoxy-4-(trifluoromethyl)benzene;1-methyl-2-nitrobenzene;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;(2,3,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 157238591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).