3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one

C18H20O2 — CID 100923277

IUPAC3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
SMILESCOC(c1ccccc1)C(C)(C)C(=O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-18(2,16(19)14-10-6-4-7-11-14)17(20-3)15-12-8-5-9-13-15/h4-13,17H,1-3H3
InChIKeyGHPDVIPRCABJAU-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.28
Rot. Bonds5

About 3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one

3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one (PubChem CID 100923277) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
PubChem CID100923277
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
SMILESCOC(c1ccccc1)C(C)(C)C(=O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-18(2,16(19)14-10-6-4-7-11-14)17(20-3)15-12-8-5-9-13-15/h4-13,17H,1-3H3
InChIKeyGHPDVIPRCABJAU-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3,3-dimethyl-4-phenylbutan-2-one
CID 10420523
2,2-dichloro-3-methoxy-1,3-diphenylpropan-1-one
CID 13184442
2,2-dimethyl-1,3-diphenyl-3-trimethylsilyloxypropan-1-one
CID 122206427
tert-butyl (2S,3S)-2-bromo-3-methoxy-2-methyl-3-phenylpropanoate
CID 10664094
(3S)-3-methoxy-2,2-dimethyl-3-phenylpropan-1-ol
CID 14871890
[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate
CID 15182984
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
methyl 2,2-dihydroxy-3-oxo-3-phenylpropanoate
CID 10081832
2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
CID 641430
(2,2,2-trifluoro-1-methoxyethyl)benzene
CID 15275027
2-chloro-2-methoxy-1-phenylpropan-1-one
CID 89336045
bis(2,2-dimethyl-1-phenylpropyl) carbonate
CID 139502993

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one?
The IUPAC name of 3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one (CID 100923277) is 3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one?
The canonical SMILES for 3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one is COC(c1ccccc1)C(C)(C)C(=O)c1ccccc1.
What is the InChIKey of 3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one?
The InChIKey is GHPDVIPRCABJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(2,16(19)14-10-6-4-7-11-14)17(20-3)15-12-8-5-9-13-15/h4-13,17H,1-3H3.
What are the key properties of 3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one?
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one is sourced from PubChem (CID 100923277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).