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

C17H18O — CID 12892486

IUPAC2,2-dimethyl-1,3-diphenylpropan-1-one
SMILESCC(C)(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H18O/c1-17(2,13-14-9-5-3-6-10-14)16(18)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyJFFSFNCEGIAKFD-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.14
Rot. Bonds4

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

2,2-dimethyl-1,3-diphenylpropan-1-one (PubChem CID 12892486) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1,3-diphenylpropan-1-one
PubChem CID12892486
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2,2-dimethyl-1,3-diphenylpropan-1-one
SMILESCC(C)(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H18O/c1-17(2,13-14-9-5-3-6-10-14)16(18)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyJFFSFNCEGIAKFD-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one
CID 100928850
2-benzyl-2-(dimethylamino)-1,3-diphenylpropan-1-one
CID 19049414
4,4-dichloro-2,2-dimethyl-1-phenylpentan-3-one
CID 15444576
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
CID 21116615
azane;carbamic acid;methyl 2,2-dimethyl-3-phenylpropanoate
CID 174615049
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
methyl 3,3-dimethyl-4-oxo-4-phenylbutanoate
CID 57437539
(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one
CID 177194439
2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
CID 155310115
benzoic acid;1,1-dimethoxy-2-phenylethanamine
CID 70260475
2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
CID 63195859

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-diphenylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1,3-diphenylpropan-1-one (CID 12892486) is 2,2-dimethyl-1,3-diphenylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1,3-diphenylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1,3-diphenylpropan-1-one is CC(C)(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-1,3-diphenylpropan-1-one?
The InChIKey is JFFSFNCEGIAKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-17(2,13-14-9-5-3-6-10-14)16(18)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-diphenylpropan-1-one?
2,2-dimethyl-1,3-diphenylpropan-1-one has a molecular weight of 238.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-diphenylpropan-1-one is sourced from PubChem (CID 12892486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).