1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone

C26H28O3 — CID 175385823

IUPAC1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone
SMILESCC(C)(OC(OC(C)(C)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28O3/c1-25(2,21-16-10-6-11-17-21)28-24(23(27)20-14-8-5-9-15-20)29-26(3,4)22-18-12-7-13-19-22/h5-19,24H,1-4H3
InChIKeyRJXLYCPXJOWKLK-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.10
Rot. Bonds8

About 1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone

1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone (PubChem CID 175385823) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone
PubChem CID175385823
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone
SMILESCC(C)(OC(OC(C)(C)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28O3/c1-25(2,21-16-10-6-11-17-21)28-24(23(27)20-14-8-5-9-15-20)29-26(3,4)22-18-12-7-13-19-22/h5-19,24H,1-4H3
InChIKeyRJXLYCPXJOWKLK-UHFFFAOYSA-N
XLogP6.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
2-benzoyl-3,3-dimethylbutanoic acid
CID 19596612
butane;2-phenylpropan-2-yl benzenecarboperoxoate
CID 174772868
2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one
CID 12576841
tert-butyl-[(2R)-1-oxo-1-phenylpropan-2-yl]carbamic acid
CID 118294491
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
methyl 3-methyl-4-oxo-4-phenylbutanoate
CID 10774657
3-anilino-2-methyl-1-phenylpropan-1-one
CID 13467340
[(2S)-3,3-dimethyl-1-oxo-1-phenylbutan-2-yl]azanium chloride
CID 11470196
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone?
The IUPAC name of 1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone (CID 175385823) is 1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone.
What is the SMILES notation for 1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone?
The canonical SMILES for 1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone is CC(C)(OC(OC(C)(C)c1ccccc1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone?
The InChIKey is RJXLYCPXJOWKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3/c1-25(2,21-16-10-6-11-17-21)28-24(23(27)20-14-8-5-9-15-20)29-26(3,4)22-18-12-7-13-19-22/h5-19,24H,1-4H3.
What are the key properties of 1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone?
1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone has a molecular weight of 388.51 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,2-bis(2-phenylpropan-2-yloxy)ethanone is sourced from PubChem (CID 175385823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).