2,3-dimethoxy-1,3-diphenylpropan-1-one

C17H18O3 — CID 86091641

IUPAC2,3-dimethoxy-1,3-diphenylpropan-1-one
SMILESCOC(C(=O)c1ccccc1)C(OC)c1ccccc1
InChIInChI=1S/C17H18O3/c1-19-16(14-11-7-4-8-12-14)17(20-2)15(18)13-9-5-3-6-10-13/h3-12,16-17H,1-2H3
InChIKeyJHUVLQQWZKFEFI-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.27
Rot. Bonds6

About 2,3-dimethoxy-1,3-diphenylpropan-1-one

2,3-dimethoxy-1,3-diphenylpropan-1-one (PubChem CID 86091641) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,3-dimethoxy-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name2,3-dimethoxy-1,3-diphenylpropan-1-one
PubChem CID86091641
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2,3-dimethoxy-1,3-diphenylpropan-1-one
SMILESCOC(C(=O)c1ccccc1)C(OC)c1ccccc1
InChIInChI=1S/C17H18O3/c1-19-16(14-11-7-4-8-12-14)17(20-2)15(18)13-9-5-3-6-10-13/h3-12,16-17H,1-2H3
InChIKeyJHUVLQQWZKFEFI-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Di-O-benzoyldiethylene glycol
CID 8437
2,2-Dimethoxy-2-phenylacetophenone
CID 90571
1,1'-Oxybis-2-propanol dibenzoate
CID 101560
Propylene glycol dibenzoate
CID 517637
Triethylene glycol dibenzoate
CID 67123
3-Phenylpropyl benzoate
CID 346273
Chalcone epoxide
CID 92219
Benzoin ethyl ether
CID 101778
Methyl Benzoin
CID 98097
alpha-Methylbenzyl benzoate
CID 236456
Diphenylmethyl benzoate
CID 280558
Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
CID 110912

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-1,3-diphenylpropan-1-one?
The IUPAC name of 2,3-dimethoxy-1,3-diphenylpropan-1-one (CID 86091641) is 2,3-dimethoxy-1,3-diphenylpropan-1-one.
What is the SMILES notation for 2,3-dimethoxy-1,3-diphenylpropan-1-one?
The canonical SMILES for 2,3-dimethoxy-1,3-diphenylpropan-1-one is COC(C(=O)c1ccccc1)C(OC)c1ccccc1.
What is the InChIKey of 2,3-dimethoxy-1,3-diphenylpropan-1-one?
The InChIKey is JHUVLQQWZKFEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-16(14-11-7-4-8-12-14)17(20-2)15(18)13-9-5-3-6-10-13/h3-12,16-17H,1-2H3.
What are the key properties of 2,3-dimethoxy-1,3-diphenylpropan-1-one?
2,3-dimethoxy-1,3-diphenylpropan-1-one has a molecular weight of 270.33 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-1,3-diphenylpropan-1-one is sourced from PubChem (CID 86091641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).