2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C24H24O5 — CID 77359834

IUPAC2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESC=CCCC(=O)c1cccc2c1CCC2Oc1ccc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C24H24O5/c1-2-3-7-21(25)19-5-4-6-20-18(19)10-11-22(20)29-16-8-9-17-15(12-24(26)27)14-28-23(17)13-16/h2,4-6,8-9,13,15,22H,1,3,7,10-12,14H2,(H,26,27)
InChIKeyVGBZYBZXYDQQFL-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.85
Rot. Bonds8

About 2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 77359834) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID77359834
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESC=CCCC(=O)c1cccc2c1CCC2Oc1ccc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C24H24O5/c1-2-3-7-21(25)19-5-4-6-20-18(19)10-11-22(20)29-16-8-9-17-15(12-24(26)27)14-28-23(17)13-16/h2,4-6,8-9,13,15,22H,1,3,7,10-12,14H2,(H,26,27)
InChIKeyVGBZYBZXYDQQFL-UHFFFAOYSA-N
XLogP4.85
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[[(1R)-4-propan-2-yl-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 71059168
2-[(3S)-6-[[(1R)-4-(1-methylcyclopropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 67951069
2-[(3S)-6-[[(1R)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 57343794
2-[6-[[(1R)-4-[(1R)-2,2-dimethylcyclopentyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 71059071
2-[(3S)-6-[[(1R)-4-[(1R)-2,2-dimethylcyclopentyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;2-[(3S)-6-[[(1R)-4-[(1S)-2,2-dimethylcyclopentyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 159140608
2-[6-[[4-(1,1-difluoro-2-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 77436824
2-[(3S)-6-[[(1R)-4-[(2R)-3,3-dimethyloxan-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 67950975
2-[6-[[5-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 77436762
methyl 2-[6-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 67812846
2-[6-[[(1R)-4-(1-methylimidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 71059056
2-[(3S)-6-[[(1S)-6-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 71059172
2-[6-[[(1R)-4-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 71059185

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 77359834) is 2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is C=CCCC(=O)c1cccc2c1CCC2Oc1ccc2c(c1)OCC2CC(=O)O.
What is the InChIKey of 2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is VGBZYBZXYDQQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5/c1-2-3-7-21(25)19-5-4-6-20-18(19)10-11-22(20)29-16-8-9-17-15(12-24(26)27)14-28-23(17)13-16/h2,4-6,8-9,13,15,22H,1,3,7,10-12,14H2,(H,26,27).
What are the key properties of 2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 392.45 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-pent-4-enoyl-2,3-dihydro-1H-inden-1-yl)oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 77359834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).