5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one

C30H24ClNO2 — CID 69432654

About 5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one

5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one (PubChem CID 69432654) has the molecular formula C30H24ClNO2 and a molecular weight of 465.98 g/mol. Its IUPAC name is 5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one
• PubChem CID: 69432654
• Molecular Formula: C30H24ClNO2
• Molecular Weight: 465.98 g/mol
• Exact Mass: 465.15
• IUPAC Name: 5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one
• SMILES: O=C1Nc2ccc(CCCl)cc2C1C1(Cc2ccc3ccccc3c2O)C=Cc2ccccc21
• InChI: InChI=1S/C30H24ClNO2/c31-16-14-19-9-12-26-24(17-19)27(29(34)32-26)30(15-13-21-6-2-4-8-25(21)30)18-22-11-10-20-5-1-3-7-23(20)28(22)33/h1-13,15,17,27,33H,14,16,18H2,(H,32,34)
• InChIKey: LHRGJILOCZWESC-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.98
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one?

The IUPAC name of 5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one (CID 69432654) is 5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one?

The canonical SMILES for 5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(CCCl)cc2C1C1(Cc2ccc3ccccc3c2O)C=Cc2ccccc21.

What is the InChIKey of 5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one?

The InChIKey is LHRGJILOCZWESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClNO2/c31-16-14-19-9-12-26-24(17-19)27(29(34)32-26)30(15-13-21-6-2-4-8-25(21)30)18-22-11-10-20-5-1-3-7-23(20)28(22)33/h1-13,15,17,27,33H,14,16,18H2,(H,32,34).

What are the key properties of 5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one?

5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 465.98 g/mol, XLogP of 6.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloroethyl)-3-[1-[(1-hydroxynaphthalen-2-yl)methyl]inden-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 69432654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).