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

C25H18O4 — CID 137119476

About 2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-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 (PubChem CID 137119476) has the molecular formula C25H18O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one.

Molecular Properties

• Compound Name: 2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one
• PubChem CID: 137119476
• Molecular Formula: C25H18O4
• Molecular Weight: 382.42 g/mol
• Exact Mass: 382.12
• IUPAC Name: 2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one
• SMILES: Cc1cc(=O)c(O)c(O)cc1C(=O)c1cccc(-c2ccc3ccccc3c2)c1
• InChI: InChI=1S/C25H18O4/c1-15-11-22(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/h2-14H,1H3,(H2,26,27,29)
• InChIKey: HHZFQHDAUSABHW-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 74.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.42
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one (CID 137119476) is 2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one.

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

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

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

The InChIKey is HHZFQHDAUSABHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O4/c1-15-11-22(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/h2-14H,1H3,(H2,26,27,29).

What are the key properties of 2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-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 has a molecular weight of 382.42 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 137119476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).