ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate

C25H24O4 — CID 156724795

About ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate

ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate (PubChem CID 156724795) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate
• PubChem CID: 156724795
• Molecular Formula: C25H24O4
• Molecular Weight: 388.46 g/mol
• Exact Mass: 388.17
• IUPAC Name: ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate
• SMILES: CCOC(=O)Cc1ccccc1OCc1cc(C2=CCCC=C2)c2occc2c1
• InChI: InChI=1S/C25H24O4/c1-2-27-24(26)16-20-10-6-7-11-23(20)29-17-18-14-21-12-13-28-25(21)22(15-18)19-8-4-3-5-9-19/h4,6-15H,2-3,5,16-17H2,1H3
• InChIKey: DJPFHQHBKKJKFI-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 48.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.46
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate?

The IUPAC name of ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate (CID 156724795) is ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate.

What is the SMILES notation for ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate?

The canonical SMILES for ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate is CCOC(=O)Cc1ccccc1OCc1cc(C2=CCCC=C2)c2occc2c1.

What is the InChIKey of ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate?

The InChIKey is DJPFHQHBKKJKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-2-27-24(26)16-20-10-6-7-11-23(20)29-17-18-14-21-12-13-28-25(21)22(15-18)19-8-4-3-5-9-19/h4,6-15H,2-3,5,16-17H2,1H3.

What are the key properties of ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate?

ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate has a molecular weight of 388.46 g/mol, XLogP of 5.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[(7-cyclohexa-1,5-dien-1-yl-1-benzofuran-5-yl)methoxy]phenyl]acetate is sourced from PubChem (CID 156724795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).