2,2-diethoxy-1,2-diphenylethanone

C18H20O3 — CID 3084853

IUPAC2,2-diethoxy-1,2-diphenylethanone
SMILESCCOC(OCC)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-3-20-18(21-4-2,16-13-9-6-10-14-16)17(19)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3
InChIKeyGIMQKKFOOYOQGB-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.80
Rot. Bonds7

About 2,2-diethoxy-1,2-diphenylethanone

2,2-diethoxy-1,2-diphenylethanone (PubChem CID 3084853) has the molecular formula C18H20O3 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2,2-diethoxy-1,2-diphenylethanone.

Molecular Properties

Compound Name2,2-diethoxy-1,2-diphenylethanone
PubChem CID3084853
Molecular FormulaC18H20O3
Molecular Weight284.35 g/mol
Exact Mass284.14
IUPAC Name2,2-diethoxy-1,2-diphenylethanone
SMILESCCOC(OCC)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-3-20-18(21-4-2,16-13-9-6-10-14-16)17(19)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3
InChIKeyGIMQKKFOOYOQGB-UHFFFAOYSA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.80
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

Benzyl Benzoate
CID 2345
Phenethyl Benzoate
CID 7194
Di-O-benzoyldiethylene glycol
CID 8437
2,2-Dimethoxy-2-phenylacetophenone
CID 90571
Propylene glycol dibenzoate
CID 517637
Cinnamyl benzoate
CID 5705112
1,1'-Oxybis-2-propanol dibenzoate
CID 101560
Geranyl benzoate
CID 5353011
Neopentyl glycol dibenzoate
CID 20169
Triethylene glycol dibenzoate
CID 67123
Octyl benzoate
CID 66751
3-Phenylpropyl benzoate
CID 346273

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1,2-diphenylethanone?
The IUPAC name of 2,2-diethoxy-1,2-diphenylethanone (CID 3084853) is 2,2-diethoxy-1,2-diphenylethanone.
What is the SMILES notation for 2,2-diethoxy-1,2-diphenylethanone?
The canonical SMILES for 2,2-diethoxy-1,2-diphenylethanone is CCOC(OCC)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diethoxy-1,2-diphenylethanone?
The InChIKey is GIMQKKFOOYOQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-20-18(21-4-2,16-13-9-6-10-14-16)17(19)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3.
What are the key properties of 2,2-diethoxy-1,2-diphenylethanone?
2,2-diethoxy-1,2-diphenylethanone has a molecular weight of 284.35 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1,2-diphenylethanone is sourced from PubChem (CID 3084853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).