(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone

C17H18O3S — CID 43625045

IUPAC(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H18O3S/c1-12(2)13-4-6-14(7-5-13)17(18)15-8-10-16(11-9-15)21(3,19)20/h4-12H,1-3H3
InChIKeyHIAXFFYSWQESDM-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.44
Rot. Bonds4

About (4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone

(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone (PubChem CID 43625045) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
PubChem CID43625045
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Name(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H18O3S/c1-12(2)13-4-6-14(7-5-13)17(18)15-8-10-16(11-9-15)21(3,19)20/h4-12H,1-3H3
InChIKeyHIAXFFYSWQESDM-UHFFFAOYSA-N
XLogP3.44
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone
CID 11848011
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
CID 11229875
(4-ethylphenyl)-(4-methylsulfonylphenyl)methanone
CID 43338338
lithium 4-propan-2-ylbenzoate
CID 58547643
1-(4-methylsulfonylphenyl)ethanethiol
CID 43124121
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064
(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262863
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
1-(4-methylsulfonylphenyl)ethyl acetate
CID 174500289

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone (CID 43625045) is (4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is HIAXFFYSWQESDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S/c1-12(2)13-4-6-14(7-5-13)17(18)15-8-10-16(11-9-15)21(3,19)20/h4-12H,1-3H3.
What are the key properties of (4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone?
(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 302.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 43625045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).