1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one

C20H20O2 — CID 101461148

IUPAC1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one
SMILESCC(=O)C[C@@H]1c2ccccc2[C@H](c2ccccc2)[C@H]1C(C)=O
InChIInChI=1S/C20H20O2/c1-13(21)12-18-16-10-6-7-11-17(16)20(19(18)14(2)22)15-8-4-3-5-9-15/h3-11,18-20H,12H2,1-2H3/t18-,19+,20+/m1/s1
InChIKeyAAIZUIOYGMWSJH-AABGKKOBSA-N
MW292.38 g/mol
LogP4.10
Rot. Bonds4

About 1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one

1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one (PubChem CID 101461148) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one
PubChem CID101461148
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one
SMILESCC(=O)C[C@@H]1c2ccccc2[C@H](c2ccccc2)[C@H]1C(C)=O
InChIInChI=1S/C20H20O2/c1-13(21)12-18-16-10-6-7-11-17(16)20(19(18)14(2)22)15-8-4-3-5-9-15/h3-11,18-20H,12H2,1-2H3/t18-,19+,20+/m1/s1
InChIKeyAAIZUIOYGMWSJH-AABGKKOBSA-N
XLogP4.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one?
The IUPAC name of 1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one (CID 101461148) is 1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one.
What is the SMILES notation for 1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one?
The canonical SMILES for 1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one is CC(=O)C[C@@H]1c2ccccc2[C@H](c2ccccc2)[C@H]1C(C)=O.
What is the InChIKey of 1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one?
The InChIKey is AAIZUIOYGMWSJH-AABGKKOBSA-N. The full InChI is InChI=1S/C20H20O2/c1-13(21)12-18-16-10-6-7-11-17(16)20(19(18)14(2)22)15-8-4-3-5-9-15/h3-11,18-20H,12H2,1-2H3/t18-,19+,20+/m1/s1.
What are the key properties of 1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one?
1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one has a molecular weight of 292.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,3S)-2-acetyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]propan-2-one is sourced from PubChem (CID 101461148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).