2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one

C25H26O2 — CID 67441475

IUPAC2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one
SMILESCC(C)COC(Cc1ccccc1)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O2/c1-20(2)19-27-25(23-16-10-5-11-17-23,18-21-12-6-3-7-13-21)24(26)22-14-8-4-9-15-22/h3-17,20H,18-19H2,1-2H3
InChIKeyUFEVUAHQPVHZGC-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.68
Rot. Bonds8

About 2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one

2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one (PubChem CID 67441475) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one.

Molecular Properties

Compound Name2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one
PubChem CID67441475
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one
SMILESCC(C)COC(Cc1ccccc1)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O2/c1-20(2)19-27-25(23-16-10-5-11-17-23,18-21-12-6-3-7-13-21)24(26)22-14-8-4-9-15-22/h3-17,20H,18-19H2,1-2H3
InChIKeyUFEVUAHQPVHZGC-UHFFFAOYSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butoxy-1,2,3-triphenylpropan-1-one
CID 154411590
2-hydroperoxy-4-methyl-1,2-diphenylpentan-3-one
CID 71443265
2-(2-aminoethoxy)-1,2-diphenylpentan-1-one
CID 67632369
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione
CID 175526561
2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one
CID 15163839
1-butoxybutane;2-hydroxy-1,2,3-triphenylpropan-1-one
CID 70616091
2-benzyl-2-(dimethylamino)-1,3-diphenylpropan-1-one
CID 19049414
2,2-dibenzyl-1-phenyl-3-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 590126
propan-2-yl 2-hydroxy-2,3-diphenylpropanoate
CID 68875154
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074
4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
CID 174770449

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one?
The IUPAC name of 2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one (CID 67441475) is 2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one.
What is the SMILES notation for 2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one?
The canonical SMILES for 2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one is CC(C)COC(Cc1ccccc1)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one?
The InChIKey is UFEVUAHQPVHZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2/c1-20(2)19-27-25(23-16-10-5-11-17-23,18-21-12-6-3-7-13-21)24(26)22-14-8-4-9-15-22/h3-17,20H,18-19H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one?
2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one has a molecular weight of 358.48 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one is sourced from PubChem (CID 67441475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).