1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one

C19H20O2 — CID 90181841

IUPAC1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one
SMILESCC(=O)c1ccc(-c2ccc(C(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H20O2/c1-13(20)14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(21)19(2,3)4/h5-12H,1-4H3
InChIKeyGEMHIDBSIMWDIB-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.78
Rot. Bonds3

About 1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one

1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one (PubChem CID 90181841) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one
PubChem CID90181841
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one
SMILESCC(=O)c1ccc(-c2ccc(C(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H20O2/c1-13(20)14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(21)19(2,3)4/h5-12H,1-4H3
InChIKeyGEMHIDBSIMWDIB-UHFFFAOYSA-N
XLogP4.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-sulfanylphenyl)phenyl]ethanone
CID 12851397
1-[4-[(E)-4-[4-(2,2-dimethylpropanoyl)phenyl]-2,2,5,5-tetramethylhex-3-en-3-yl]phenyl]-2,2-dimethylpropan-1-one
CID 15372819
tert-butyl 4-(4-acetylphenyl)benzoate
CID 143956110
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
CID 145132515
CID 145132515
1-(4-acetylphenyl)ethanone;methane
CID 159515104
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
4-acetyl(11C)benzoic acid
CID 11205952
1-[4-(3,5-dimethylphenyl)phenyl]ethanone
CID 11148810
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
1-[4-(1,1-dihydroxyethyl)phenyl]ethanone
CID 143592266

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one (CID 90181841) is 1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one is CC(=O)c1ccc(-c2ccc(C(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is GEMHIDBSIMWDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13(20)14-5-7-15(8-6-14)16-9-11-17(12-10-16)18(21)19(2,3)4/h5-12H,1-4H3.
What are the key properties of 1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one?
1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 90181841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).