1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one

C24H22O3S — CID 58731884

IUPAC1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one
SMILESCC(C)(CO)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22O3S/c1-24(2,16-25)23(27)19-10-14-21(15-11-19)28-20-12-8-18(9-13-20)22(26)17-6-4-3-5-7-17/h3-15,25H,16H2,1-2H3
InChIKeyJDNKRAGAEWQHDT-UHFFFAOYSA-N
MW390.50 g/mol
LogP5.27
Rot. Bonds7

About 1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one

1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one (PubChem CID 58731884) has the molecular formula C24H22O3S and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one
PubChem CID58731884
Molecular FormulaC24H22O3S
Molecular Weight390.50 g/mol
Exact Mass390.13
IUPAC Name1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one
SMILESCC(C)(CO)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22O3S/c1-24(2,16-25)23(27)19-10-14-21(15-11-19)28-20-12-8-18(9-13-20)22(26)17-6-4-3-5-7-17/h3-15,25H,16H2,1-2H3
InChIKeyJDNKRAGAEWQHDT-UHFFFAOYSA-N
XLogP5.27
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide
CID 59476635
[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone
CID 150446587
2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone
CID 151688596
2,2-dimethylpropane;diphenylmethanone
CID 159191976
2-[2-[4-(4-benzoylphenyl)sulfanylphenyl]ethoxy]ethyl 2,2-dimethylbutanoate
CID 59476634
(4-aminosulfanylphenyl)-phenylmethanone
CID 174353142
[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone
CID 145160096
2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
methyl 3,3-dimethyl-4-oxo-4-phenylbutanoate
CID 57437539
[4-(4-benzoylphenyl)sulfanylphenyl]-diphenylsulfanium tetrafluoroborate
CID 139748090

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one (CID 58731884) is 1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one is CC(C)(CO)C(=O)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one?
The InChIKey is JDNKRAGAEWQHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3S/c1-24(2,16-25)23(27)19-10-14-21(15-11-19)28-20-12-8-18(9-13-20)22(26)17-6-4-3-5-7-17/h3-15,25H,16H2,1-2H3.
What are the key properties of 1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one?
1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one has a molecular weight of 390.50 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58731884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).