2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone

C24H24O2 — CID 141289479

IUPAC2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone
SMILESCC(C)COC(C(=O)c1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O2/c1-18(2)17-26-24(20-13-7-4-8-14-20)23(25)22-16-10-9-15-21(22)19-11-5-3-6-12-19/h3-16,18,24H,17H2,1-2H3
InChIKeyGYWQKLKUYQKUKK-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.95
Rot. Bonds7

About 2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone

2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone (PubChem CID 141289479) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone
PubChem CID141289479
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone
SMILESCC(C)COC(C(=O)c1ccccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O2/c1-18(2)17-26-24(20-13-7-4-8-14-20)23(25)22-16-10-9-15-21(22)19-11-5-3-6-12-19/h3-16,18,24H,17H2,1-2H3
InChIKeyGYWQKLKUYQKUKK-UHFFFAOYSA-N
XLogP5.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.95
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
ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate
CID 141031593
2-(2,3-dimethylbutoxy)-1,2-diphenylethanone
CID 175210232
2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid
CID 70461221
2,4,4-trihydroxy-1-(2-phenylphenyl)butan-1-one
CID 141279950
3-(2-methylpropoxy)-3-phenylpropanoic acid
CID 114988873
N-[2-(dimethylamino)-2-phenylethyl]-2-phenylbenzamide
CID 17461099
N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
CID 68726081
N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide
CID 68728016
2-butoxy-1-(2-butylphenyl)-2-phenylethanone
CID 139762449
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
CID 68728242

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone?
The IUPAC name of 2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone (CID 141289479) is 2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone.
What is the SMILES notation for 2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone?
The canonical SMILES for 2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone is CC(C)COC(C(=O)c1ccccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone?
The InChIKey is GYWQKLKUYQKUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c1-18(2)17-26-24(20-13-7-4-8-14-20)23(25)22-16-10-9-15-21(22)19-11-5-3-6-12-19/h3-16,18,24H,17H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone?
2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone has a molecular weight of 344.45 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-2-phenyl-1-(2-phenylphenyl)ethanone is sourced from PubChem (CID 141289479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).