cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone

C28H32FNO2 — CID 134221916

About cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone

cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 134221916) has the molecular formula C28H32FNO2 and a molecular weight of 433.57 g/mol. Its IUPAC name is cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone
• PubChem CID: 134221916
• Molecular Formula: C28H32FNO2
• Molecular Weight: 433.57 g/mol
• Exact Mass: 433.24
• IUPAC Name: cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone
• SMILES: CCc1c(C)cc2c(c1-c1cc(F)c3c(c1C)CCCO3)CCN2C(=O)C1=CCCCC1
• InChI: InChI=1S/C28H32FNO2/c1-4-20-17(2)15-25-22(12-13-30(25)28(31)19-9-6-5-7-10-19)26(20)23-16-24(29)27-21(18(23)3)11-8-14-32-27/h9,15-16H,4-8,10-14H2,1-3H3
• InChIKey: ZUBATUORFRZRIX-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.57
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone?

The IUPAC name of cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone (CID 134221916) is cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone.

What is the SMILES notation for cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone?

The canonical SMILES for cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone is CCc1c(C)cc2c(c1-c1cc(F)c3c(c1C)CCCO3)CCN2C(=O)C1=CCCCC1.

What is the InChIKey of cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone?

The InChIKey is ZUBATUORFRZRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FNO2/c1-4-20-17(2)15-25-22(12-13-30(25)28(31)19-9-6-5-7-10-19)26(20)23-16-24(29)27-21(18(23)3)11-8-14-32-27/h9,15-16H,4-8,10-14H2,1-3H3.

What are the key properties of cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone?

cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 433.57 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexen-1-yl-[5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 134221916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).