methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate

C30H30O5 — CID 58318463

About methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate

methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate (PubChem CID 58318463) has the molecular formula C30H30O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate
• PubChem CID: 58318463
• Molecular Formula: C30H30O5
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.21
• IUPAC Name: methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate
• SMILES: COC(=O)C1(CC(=O)c2ccc(C(C)=O)c(OCCc3cccc(C)c3)c2)Cc2ccccc2C1
• InChI: InChI=1S/C30H30O5/c1-20-7-6-8-22(15-20)13-14-35-28-16-23(11-12-26(28)21(2)31)27(32)19-30(29(33)34-3)17-24-9-4-5-10-25(24)18-30/h4-12,15-16H,13-14,17-19H2,1-3H3
• InChIKey: TUWBNWKDHOGUTE-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 69.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate?

The IUPAC name of methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate (CID 58318463) is methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate.

What is the SMILES notation for methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate?

The canonical SMILES for methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate is COC(=O)C1(CC(=O)c2ccc(C(C)=O)c(OCCc3cccc(C)c3)c2)Cc2ccccc2C1.

What is the InChIKey of methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate?

The InChIKey is TUWBNWKDHOGUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O5/c1-20-7-6-8-22(15-20)13-14-35-28-16-23(11-12-26(28)21(2)31)27(32)19-30(29(33)34-3)17-24-9-4-5-10-25(24)18-30/h4-12,15-16H,13-14,17-19H2,1-3H3.

What are the key properties of methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate?

methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate has a molecular weight of 470.57 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[2-[4-acetyl-3-[2-(3-methylphenyl)ethoxy]phenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 58318463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).