(1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one

C19H20O — CID 100968951

IUPAC(1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one
SMILESCC[C@@H]1C(=O)[C@@](CC)(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H20O/c1-3-15-16-12-8-9-13-17(16)19(4-2,18(15)20)14-10-6-5-7-11-14/h5-13,15H,3-4H2,1-2H3/t15-,19-/m0/s1
InChIKeyIMLWEDNIOMYDRY-KXBFYZLASA-N
MW264.37 g/mol
LogP4.46
Rot. Bonds3

About (1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one

(1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one (PubChem CID 100968951) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one.

Molecular Properties

Compound Name(1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one
PubChem CID100968951
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one
SMILESCC[C@@H]1C(=O)[C@@](CC)(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H20O/c1-3-15-16-12-8-9-13-17(16)19(4-2,18(15)20)14-10-6-5-7-11-14/h5-13,15H,3-4H2,1-2H3/t15-,19-/m0/s1
InChIKeyIMLWEDNIOMYDRY-KXBFYZLASA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 139042175
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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one?
The IUPAC name of (1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one (CID 100968951) is (1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one.
What is the SMILES notation for (1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one?
The canonical SMILES for (1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one is CC[C@@H]1C(=O)[C@@](CC)(c2ccccc2)c2ccccc21.
What is the InChIKey of (1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one?
The InChIKey is IMLWEDNIOMYDRY-KXBFYZLASA-N. The full InChI is InChI=1S/C19H20O/c1-3-15-16-12-8-9-13-17(16)19(4-2,18(15)20)14-10-6-5-7-11-14/h5-13,15H,3-4H2,1-2H3/t15-,19-/m0/s1.
What are the key properties of (1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one?
(1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one has a molecular weight of 264.37 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1,3-diethyl-3-phenyl-1H-inden-2-one is sourced from PubChem (CID 100968951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).