2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione

C18H18O4 — CID 641430

IUPAC2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
SMILESCOC(OC)C(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H18O4/c1-21-18(22-2)15(16(19)13-9-5-3-6-10-13)17(20)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3
InChIKeyCPCIVWKKUOEHCG-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.99
Rot. Bonds7

About 2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione

2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione (PubChem CID 641430) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione.

Molecular Properties

Compound Name2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
PubChem CID641430
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
SMILESCOC(OC)C(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H18O4/c1-21-18(22-2)15(16(19)13-9-5-3-6-10-13)17(20)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3
InChIKeyCPCIVWKKUOEHCG-UHFFFAOYSA-N
XLogP2.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethoxy-2-methyl-1-phenylpropan-1-one
CID 12709072
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
CID 166442123
(2S)-2-dimethoxyphosphoryl-2-methoxy-1-phenylethanone
CID 125471761
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
3-bromo-2-methoxy-1-phenylpropan-1-one
CID 14063307
(2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one
CID 99867988
1,1-dimethoxypropan-2-yl benzoate
CID 163440467
methyl (3S)-4-benzoyl-5-oxo-3,5-diphenylpentanoate
CID 134842570
2-methoxy-1,4-diphenylbutane-1,4-dione
CID 11459858
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione?
The IUPAC name of 2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione (CID 641430) is 2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione.
What is the SMILES notation for 2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione?
The canonical SMILES for 2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione is COC(OC)C(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione?
The InChIKey is CPCIVWKKUOEHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-21-18(22-2)15(16(19)13-9-5-3-6-10-13)17(20)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3.
What are the key properties of 2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione?
2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione has a molecular weight of 298.34 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione is sourced from PubChem (CID 641430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).