5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone

C81H78O12S — CID 161152440

About 5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone

5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone (PubChem CID 161152440) has the molecular formula C81H78O12S and a molecular weight of 1275.57 g/mol. Its IUPAC name is 5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone.

Molecular Properties

• Compound Name: 5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone
• PubChem CID: 161152440
• Molecular Formula: C81H78O12S
• Molecular Weight: 1275.57 g/mol
• Exact Mass: 1274.52
• IUPAC Name: 5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone
• SMILES: COc1c(C)cc(C(C)(C)c2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c(C)c2)cc1C.COc1cc(OC)c(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1OC.COc1ccc2cc(Oc3ccc(C(=O)c4ccc(C)cc4)cc3)ccc2c1
• InChI: InChI=1S/C33H36O4S.C25H20O3.C23H22O5/c1-21-9-13-29(14-10-21)38(34,35)30-15-11-28(12-16-30)37-32-24(4)19-27(20-25(32)5)33(6,7)26-17-22(2)31(36-8)23(3)18-26;1-17-3-5-18(6-4-17)25(26)19-7-11-22(12-8-19)28-24-14-10-20-15-23(27-2)13-9-21(20)16-24;1-15-5-7-16(8-6-15)23(24)17-9-11-18(12-10-17)28-22-14-20(26-3)19(25-2)13-21(22)27-4/h9-20H,1-8H3;3-16H,1-2H3;5-14H,1-4H3
• InChIKey: UOVZVUQRBJZUQB-UHFFFAOYSA-N
• XLogP: 19.41
• TPSA: 142.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1275.57
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone?

The IUPAC name of 5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone (CID 161152440) is 5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone.

What is the SMILES notation for 5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone?

The canonical SMILES for 5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone is COc1c(C)cc(C(C)(C)c2cc(C)c(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c(C)c2)cc1C.COc1cc(OC)c(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1OC.COc1ccc2cc(Oc3ccc(C(=O)c4ccc(C)cc4)cc3)ccc2c1.

What is the InChIKey of 5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone?

The InChIKey is UOVZVUQRBJZUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O4S.C25H20O3.C23H22O5/c1-21-9-13-29(14-10-21)38(34,35)30-15-11-28(12-16-30)37-32-24(4)19-27(20-25(32)5)33(6,7)26-17-22(2)31(36-8)23(3)18-26;1-17-3-5-18(6-4-17)25(26)19-7-11-22(12-8-19)28-24-14-10-20-15-23(27-2)13-9-21(20)16-24;1-15-5-7-16(8-6-15)23(24)17-9-11-18(12-10-17)28-22-14-20(26-3)19(25-2)13-21(22)27-4/h9-20H,1-8H3;3-16H,1-2H3;5-14H,1-4H3.

What are the key properties of 5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone?

5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone has a molecular weight of 1275.57 g/mol, XLogP of 19.41, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-2-methoxy-1,3-dimethylbenzene;[4-(6-methoxynaphthalen-2-yl)oxyphenyl]-(4-methylphenyl)methanone;(4-methylphenyl)-[4-(2,4,5-trimethoxyphenoxy)phenyl]methanone is sourced from PubChem (CID 161152440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).