[3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate

C92H82O13S — CID 159062643

About [3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate

[3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate (PubChem CID 159062643) has the molecular formula C92H82O13S and a molecular weight of 1427.72 g/mol. Its IUPAC name is [3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate.

Molecular Properties

• Compound Name: [3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate
• PubChem CID: 159062643
• Molecular Formula: C92H82O13S
• Molecular Weight: 1427.72 g/mol
• Exact Mass: 1426.55
• IUPAC Name: [3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate
• SMILES: COc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(C)cc5)c4)cc3)cc2)cc1.COc1ccc(S(=O)Oc2ccc(C3(c4ccc(OC)cc4)CC(C)CC(C)(C)C3)cc2)cc1.COc1cccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(C)cc4)c3)cc2)c1
• InChI: InChI=1S/C35H26O5.C29H34O4S.C28H22O4/c1-23-6-8-24(9-7-23)34(37)28-4-3-5-29(22-28)35(38)27-14-20-32(21-15-27)40-31-18-12-26(13-19-31)33(36)25-10-16-30(39-2)17-11-25;1-21-18-28(2,3)20-29(19-21,22-6-10-24(31-4)11-7-22)23-8-12-26(13-9-23)33-34(30)27-16-14-25(32-5)15-17-27;1-19-9-11-20(12-10-19)27(29)22-5-3-6-23(17-22)28(30)21-13-15-24(16-14-21)32-26-8-4-7-25(18-26)31-2/h3-22H,1-2H3;6-17,21H,18-20H2,1-5H3;3-18H,1-2H3
• InChIKey: JYQWHMOPDKTCBS-UHFFFAOYSA-N
• XLogP: 20.68
• TPSA: 167.03 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 23
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.72
LogP ≤ 5	20.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate?

The IUPAC name of [3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate (CID 159062643) is [3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate.

What is the SMILES notation for [3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate?

The canonical SMILES for [3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate is COc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(C)cc5)c4)cc3)cc2)cc1.COc1ccc(S(=O)Oc2ccc(C3(c4ccc(OC)cc4)CC(C)CC(C)(C)C3)cc2)cc1.COc1cccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(C)cc4)c3)cc2)c1.

What is the InChIKey of [3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate?

The InChIKey is JYQWHMOPDKTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26O5.C29H34O4S.C28H22O4/c1-23-6-8-24(9-7-23)34(37)28-4-3-5-29(22-28)35(38)27-14-20-32(21-15-27)40-31-18-12-26(13-19-31)33(36)25-10-16-30(39-2)17-11-25;1-21-18-28(2,3)20-29(19-21,22-6-10-24(31-4)11-7-22)23-8-12-26(13-9-23)33-34(30)27-16-14-25(32-5)15-17-27;1-19-9-11-20(12-10-19)27(29)22-5-3-6-23(17-22)28(30)21-13-15-24(16-14-21)32-26-8-4-7-25(18-26)31-2/h3-22H,1-2H3;6-17,21H,18-20H2,1-5H3;3-18H,1-2H3.

What are the key properties of [3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate?

[3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate has a molecular weight of 1427.72 g/mol, XLogP of 20.68, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(3-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-[3-(4-methylbenzoyl)benzoyl]phenoxy]phenyl]methanone;[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] 4-methoxybenzenesulfinate is sourced from PubChem (CID 159062643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).