methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate

C24H27FO2 — CID 135239958

About methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate

methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate (PubChem CID 135239958) has the molecular formula C24H27FO2 and a molecular weight of 366.48 g/mol. Its IUPAC name is methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate.

Molecular Properties

• Compound Name: methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
• PubChem CID: 135239958
• Molecular Formula: C24H27FO2
• Molecular Weight: 366.48 g/mol
• Exact Mass: 366.20
• IUPAC Name: methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
• SMILES: C=C(c1ccc(C(=O)OC)c(F)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C24H27FO2/c1-15(17-7-9-18(21(25)14-17)22(26)27-6)16-8-10-19-20(13-16)24(4,5)12-11-23(19,2)3/h7-10,13-14H,1,11-12H2,2-6H3
• InChIKey: BQXADPTYXOBVKP-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.48
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate?

The IUPAC name of methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate (CID 135239958) is methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate.

What is the SMILES notation for methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate?

The canonical SMILES for methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate is C=C(c1ccc(C(=O)OC)c(F)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C.

What is the InChIKey of methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate?

The InChIKey is BQXADPTYXOBVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FO2/c1-15(17-7-9-18(21(25)14-17)22(26)27-6)16-8-10-19-20(13-16)24(4,5)12-11-23(19,2)3/h7-10,13-14H,1,11-12H2,2-6H3.

What are the key properties of methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate?

methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate has a molecular weight of 366.48 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate is sourced from PubChem (CID 135239958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).