3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one

C29H23NO5 — CID 17078033

About 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one

3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one (PubChem CID 17078033) has the molecular formula C29H23NO5 and a molecular weight of 465.51 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one.

Molecular Properties

• Compound Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one
• PubChem CID: 17078033
• Molecular Formula: C29H23NO5
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.16
• IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one
• SMILES: O=C(CC1(O)C(=O)N(Cc2ccc3ccccc3c2)c2ccccc21)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C29H23NO5/c31-25(22-11-12-26-27(16-22)35-14-13-34-26)17-29(33)23-7-3-4-8-24(23)30(28(29)32)18-19-9-10-20-5-1-2-6-21(20)15-19/h1-12,15-16,33H,13-14,17-18H2
• InChIKey: SHMNMCBPLJRFEW-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one?

The IUPAC name of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one (CID 17078033) is 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one.

What is the SMILES notation for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one?

The canonical SMILES for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one is O=C(CC1(O)C(=O)N(Cc2ccc3ccccc3c2)c2ccccc21)c1ccc2c(c1)OCCO2.

What is the InChIKey of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one?

The InChIKey is SHMNMCBPLJRFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO5/c31-25(22-11-12-26-27(16-22)35-14-13-34-26)17-29(33)23-7-3-4-8-24(23)30(28(29)32)18-19-9-10-20-5-1-2-6-21(20)15-19/h1-12,15-16,33H,13-14,17-18H2.

What are the key properties of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one?

3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one has a molecular weight of 465.51 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-2-ylmethyl)indol-2-one is sourced from PubChem (CID 17078033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).