6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one

C21H20O2 — CID 139329781

IUPAC6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one
SMILESCC(=O)c1ccccc1CCC=Cc1ccc2c(c1)C(=O)CC2
InChIInChI=1S/C21H20O2/c1-15(22)19-9-5-4-8-17(19)7-3-2-6-16-10-11-18-12-13-21(23)20(18)14-16/h2,4-6,8-11,14H,3,7,12-13H2,1H3
InChIKeyYDTUUGPOYPSRKZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.66
Rot. Bonds5

About 6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one

6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one (PubChem CID 139329781) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one
PubChem CID139329781
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one
SMILESCC(=O)c1ccccc1CCC=Cc1ccc2c(c1)C(=O)CC2
InChIInChI=1S/C21H20O2/c1-15(22)19-9-5-4-8-17(19)7-3-2-6-16-10-11-18-12-13-21(23)20(18)14-16/h2,4-6,8-11,14H,3,7,12-13H2,1H3
InChIKeyYDTUUGPOYPSRKZ-UHFFFAOYSA-N
XLogP4.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one?
The IUPAC name of 6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one (CID 139329781) is 6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one is CC(=O)c1ccccc1CCC=Cc1ccc2c(c1)C(=O)CC2.
What is the InChIKey of 6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one?
The InChIKey is YDTUUGPOYPSRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-15(22)19-9-5-4-8-17(19)7-3-2-6-16-10-11-18-12-13-21(23)20(18)14-16/h2,4-6,8-11,14H,3,7,12-13H2,1H3.
What are the key properties of 6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one?
6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one has a molecular weight of 304.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 139329781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).