[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone

C20H24O4S — CID 11848011

IUPAC[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone
SMILESCC(C)c1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)cc(C(C)C)c1O
InChIInChI=1S/C20H24O4S/c1-12(2)17-10-15(11-18(13(3)4)20(17)22)19(21)14-6-8-16(9-7-14)25(5,23)24/h6-13,22H,1-5H3
InChIKeyQWXIXQOGPRGKOP-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.27
Rot. Bonds5

About [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone

[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone (PubChem CID 11848011) has the molecular formula C20H24O4S and a molecular weight of 360.48 g/mol. Its IUPAC name is [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone
PubChem CID11848011
Molecular FormulaC20H24O4S
Molecular Weight360.48 g/mol
Exact Mass360.14
IUPAC Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone
SMILESCC(C)c1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)cc(C(C)C)c1O
InChIInChI=1S/C20H24O4S/c1-12(2)17-10-15(11-18(13(3)4)20(17)22)19(21)14-6-8-16(9-7-14)25(5,23)24/h6-13,22H,1-5H3
InChIKeyQWXIXQOGPRGKOP-UHFFFAOYSA-N
XLogP4.27
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045
(6-hydroxy-5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfonylphenyl)methanone
CID 57086090
(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
CID 11229875
(4-ethylphenyl)-(4-methylsulfonylphenyl)methanone
CID 43338338
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
CID 21262973
4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid
CID 159385811
(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262863
dipotassium;4-methylsulfonylphenol;carbonate
CID 139243111
(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
CID 43339877
(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
CID 43339488
4-methylsulfonylbenzamide;hydrochloride
CID 71184405

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone?
The IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone (CID 11848011) is [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone is CC(C)c1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)cc(C(C)C)c1O.
What is the InChIKey of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone?
The InChIKey is QWXIXQOGPRGKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4S/c1-12(2)17-10-15(11-18(13(3)4)20(17)22)19(21)14-6-8-16(9-7-14)25(5,23)24/h6-13,22H,1-5H3.
What are the key properties of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone?
[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone has a molecular weight of 360.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 11848011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).