2-(2,3-dimethylbutoxy)-1,2-diphenylethanone

C20H24O2 — CID 175210232

IUPAC2-(2,3-dimethylbutoxy)-1,2-diphenylethanone
SMILESCC(C)C(C)COC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2/c1-15(2)16(3)14-22-20(18-12-8-5-9-13-18)19(21)17-10-6-4-7-11-17/h4-13,15-16,20H,14H2,1-3H3
InChIKeySORHIYYDQUPVPS-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.92
Rot. Bonds7

About 2-(2,3-dimethylbutoxy)-1,2-diphenylethanone

2-(2,3-dimethylbutoxy)-1,2-diphenylethanone (PubChem CID 175210232) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(2,3-dimethylbutoxy)-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(2,3-dimethylbutoxy)-1,2-diphenylethanone
PubChem CID175210232
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name2-(2,3-dimethylbutoxy)-1,2-diphenylethanone
SMILESCC(C)C(C)COC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2/c1-15(2)16(3)14-22-20(18-12-8-5-9-13-18)19(21)17-10-6-4-7-11-17/h4-13,15-16,20H,14H2,1-3H3
InChIKeySORHIYYDQUPVPS-UHFFFAOYSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
CID 736037
2-(2-methylpropoxymethoxy)-1,2-diphenylethanone
CID 57254224
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
2-(2-chloroethoxy)-1,2-diphenylethanone
CID 12628444
(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
CID 10912011
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
CID 116751792
2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone
CID 141289479
[(2R)-2-phenylpropyl] benzoate
CID 101021839

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutoxy)-1,2-diphenylethanone?
The IUPAC name of 2-(2,3-dimethylbutoxy)-1,2-diphenylethanone (CID 175210232) is 2-(2,3-dimethylbutoxy)-1,2-diphenylethanone.
What is the SMILES notation for 2-(2,3-dimethylbutoxy)-1,2-diphenylethanone?
The canonical SMILES for 2-(2,3-dimethylbutoxy)-1,2-diphenylethanone is CC(C)C(C)COC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,3-dimethylbutoxy)-1,2-diphenylethanone?
The InChIKey is SORHIYYDQUPVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-15(2)16(3)14-22-20(18-12-8-5-9-13-18)19(21)17-10-6-4-7-11-17/h4-13,15-16,20H,14H2,1-3H3.
What are the key properties of 2-(2,3-dimethylbutoxy)-1,2-diphenylethanone?
2-(2,3-dimethylbutoxy)-1,2-diphenylethanone has a molecular weight of 296.41 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutoxy)-1,2-diphenylethanone is sourced from PubChem (CID 175210232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).