2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one

C142H104O24 — CID 161243392

About 2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one

2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one (PubChem CID 161243392) has the molecular formula C142H104O24 and a molecular weight of 2194.37 g/mol. Its IUPAC name is 2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one.

Molecular Properties

• Compound Name: 2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one
• PubChem CID: 161243392
• Molecular Formula: C142H104O24
• Molecular Weight: 2194.37 g/mol
• Exact Mass: 2192.69
• IUPAC Name: 2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one
• SMILES: Cc1cc(=O)c(O)c(O)cc1C(=O)c1ccc(-c2ccc3ccccc3c2)cc1.Cc1cc(=O)c(O)c(O)cc1C(=O)c1ccc(-c2cccc3ccccc23)cc1.Cc1cc(=O)c(O)c(O)cc1C(=O)c1ccc(-c2ccccc2)cc1.Cc1cc(=O)c(O)c(O)cc1C(=O)c1cccc(-c2ccc3ccccc3c2)c1.Cc1cc(=O)c(O)c(O)cc1C(=O)c1cccc(-c2cccc3ccccc23)c1.Cc1cc(=O)c(O)c(O)cc1C(=O)c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/4C25H18O4.2C21H16O4/c1-15-12-22(26)25(29)23(27)14-21(15)24(28)18-9-4-8-17(13-18)20-11-5-7-16-6-2-3-10-19(16)20;1-15-13-22(26)25(29)23(27)14-21(15)24(28)18-11-9-17(10-12-18)20-8-4-6-16-5-2-3-7-19(16)20;1-15-11-22(26)25(29)23(27)14-21(15)24(28)20-8-4-7-18(13-20)19-10-9-16-5-2-3-6-17(16)12-19;1-15-12-22(26)25(29)23(27)14-21(15)24(28)18-9-6-17(7-10-18)20-11-8-16-4-2-3-5-19(16)13-20;1-13-10-18(22)21(25)19(23)12-17(13)20(24)16-9-5-8-15(11-16)14-6-3-2-4-7-14;1-13-11-18(22)21(25)19(23)12-17(13)20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h4*2-14H,1H3,(H2,26,27,29);2*2-12H,1H3,(H2,22,23,25)
• InChIKey: VAHQEWCRDLMVPL-UHFFFAOYSA-N
• XLogP: 26.60
• TPSA: 447.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2194.37
LogP ≤ 5	26.60
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one?

The IUPAC name of 2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one (CID 161243392) is 2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one.

What is the SMILES notation for 2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one?

The canonical SMILES for 2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one is Cc1cc(=O)c(O)c(O)cc1C(=O)c1ccc(-c2ccc3ccccc3c2)cc1.Cc1cc(=O)c(O)c(O)cc1C(=O)c1ccc(-c2cccc3ccccc23)cc1.Cc1cc(=O)c(O)c(O)cc1C(=O)c1ccc(-c2ccccc2)cc1.Cc1cc(=O)c(O)c(O)cc1C(=O)c1cccc(-c2ccc3ccccc3c2)c1.Cc1cc(=O)c(O)c(O)cc1C(=O)c1cccc(-c2cccc3ccccc23)c1.Cc1cc(=O)c(O)c(O)cc1C(=O)c1cccc(-c2ccccc2)c1.

What is the InChIKey of 2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one?

The InChIKey is VAHQEWCRDLMVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C25H18O4.2C21H16O4/c1-15-12-22(26)25(29)23(27)14-21(15)24(28)18-9-4-8-17(13-18)20-11-5-7-16-6-2-3-10-19(16)20;1-15-13-22(26)25(29)23(27)14-21(15)24(28)18-11-9-17(10-12-18)20-8-4-6-16-5-2-3-7-19(16)20;1-15-11-22(26)25(29)23(27)14-21(15)24(28)20-8-4-7-18(13-20)19-10-9-16-5-2-3-6-17(16)12-19;1-15-12-22(26)25(29)23(27)14-21(15)24(28)18-9-6-17(7-10-18)20-11-8-16-4-2-3-5-19(16)13-20;1-13-10-18(22)21(25)19(23)12-17(13)20(24)16-9-5-8-15(11-16)14-6-3-2-4-7-14;1-13-11-18(22)21(25)19(23)12-17(13)20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h4*2-14H,1H3,(H2,26,27,29);2*2-12H,1H3,(H2,22,23,25).

What are the key properties of 2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one?

2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one has a molecular weight of 2194.37 g/mol, XLogP of 26.60, 18 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 161243392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).