1-ethylalumanyl-2,3-diphenylpropan-1-one

C17H19AlO — CID 173146951

IUPAC1-ethylalumanyl-2,3-diphenylpropan-1-one
SMILESCC[AlH]C(=O)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H13O.C2H5.Al.H/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13;1-2;;/h1-10,15H,11H2;1H2,2H3;;
InChIKeyWEFIVHFKLCYDPM-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.41
Rot. Bonds6

About 1-ethylalumanyl-2,3-diphenylpropan-1-one

1-ethylalumanyl-2,3-diphenylpropan-1-one (PubChem CID 173146951) has the molecular formula C17H19AlO and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-ethylalumanyl-2,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-ethylalumanyl-2,3-diphenylpropan-1-one
PubChem CID173146951
Molecular FormulaC17H19AlO
Molecular Weight266.32 g/mol
Exact Mass266.13
IUPAC Name1-ethylalumanyl-2,3-diphenylpropan-1-one
SMILESCC[AlH]C(=O)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H13O.C2H5.Al.H/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13;1-2;;/h1-10,15H,11H2;1H2,2H3;;
InChIKeyWEFIVHFKLCYDPM-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2,3-diphenylpropanoic acid
CID 737125
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
(2S)-2,3-diphenylpropanoate
CID 6993748
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
3-[4-[[methyl(3-phenylpropanoyl)amino]methyl]phenyl]-2-phenylpropanoic acid
CID 23176557
1-octylalumanyl-3,4-diphenylbutan-2-one
CID 173147077
4-methyl-2,5-diphenylpentanoic acid
CID 82160563
(2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid
CID 163124301
(3S)-3-chloro-4-phenylbutan-2-one
CID 93194172
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
CID 135032816

Frequently Asked Questions

What is the IUPAC name of 1-ethylalumanyl-2,3-diphenylpropan-1-one?
The IUPAC name of 1-ethylalumanyl-2,3-diphenylpropan-1-one (CID 173146951) is 1-ethylalumanyl-2,3-diphenylpropan-1-one.
What is the SMILES notation for 1-ethylalumanyl-2,3-diphenylpropan-1-one?
The canonical SMILES for 1-ethylalumanyl-2,3-diphenylpropan-1-one is CC[AlH]C(=O)C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-ethylalumanyl-2,3-diphenylpropan-1-one?
The InChIKey is WEFIVHFKLCYDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13O.C2H5.Al.H/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13;1-2;;/h1-10,15H,11H2;1H2,2H3;;.
What are the key properties of 1-ethylalumanyl-2,3-diphenylpropan-1-one?
1-ethylalumanyl-2,3-diphenylpropan-1-one has a molecular weight of 266.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylalumanyl-2,3-diphenylpropan-1-one is sourced from PubChem (CID 173146951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).