1,1-diphenyl-1-propoxypropan-2-one

C18H20O2 — CID 13040855

IUPAC1,1-diphenyl-1-propoxypropan-2-one
SMILESCCCOC(C(C)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-3-14-20-18(15(2)19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,3,14H2,1-2H3
InChIKeyNCNSBSFIVOQVGU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.95
Rot. Bonds6

About 1,1-diphenyl-1-propoxypropan-2-one

1,1-diphenyl-1-propoxypropan-2-one (PubChem CID 13040855) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,1-diphenyl-1-propoxypropan-2-one.

Molecular Properties

Compound Name1,1-diphenyl-1-propoxypropan-2-one
PubChem CID13040855
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1,1-diphenyl-1-propoxypropan-2-one
SMILESCCCOC(C(C)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-3-14-20-18(15(2)19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,3,14H2,1-2H3
InChIKeyNCNSBSFIVOQVGU-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-oxidopiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate
CID 10155959
(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenyl-2-propoxyacetate
CID 72793860
(3S)-3-methyl-3-phenylhexan-2-one
CID 54421490
3-butyl-3-phenylheptan-2-one
CID 11776692
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808
2-methyl-2-phenyl-3-propoxypropanoic acid
CID 175070195
[(1S,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2,2-diphenyl-2-propoxyacetate
CID 98560663
2,2-diphenylpentan-3-one
CID 70793023
hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium
CID 70150123
dibutyl 2-phenyl-2-propan-2-ylpropanedioate
CID 118088461
butyl 2,2-dibromo-2-phenylacetate
CID 67401521
(3-ethyl-3-phenylpentyl) acetate
CID 142276896

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-1-propoxypropan-2-one?
The IUPAC name of 1,1-diphenyl-1-propoxypropan-2-one (CID 13040855) is 1,1-diphenyl-1-propoxypropan-2-one.
What is the SMILES notation for 1,1-diphenyl-1-propoxypropan-2-one?
The canonical SMILES for 1,1-diphenyl-1-propoxypropan-2-one is CCCOC(C(C)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-1-propoxypropan-2-one?
The InChIKey is NCNSBSFIVOQVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-14-20-18(15(2)19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,3,14H2,1-2H3.
What are the key properties of 1,1-diphenyl-1-propoxypropan-2-one?
1,1-diphenyl-1-propoxypropan-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-1-propoxypropan-2-one is sourced from PubChem (CID 13040855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).