(4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene

C66H72O8S2 — CID 143437924

IUPAC(4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
SMILESCC(C)(C)c1ccc(C(=O)c2ccc(O)cc2)cc1.CC(C)(C)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(C)C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C17H18O2.C17H18O.C16H18O3S.C16H18O2S/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13;1-12(2)14-8-10-16(11-9-14)17(18)15-6-4-13(3)5-7-15;1-16(2,3)12-4-8-14(9-5-12)20(18,19)15-10-6-13(17)7-11-15;1-12(2)14-6-10-16(11-7-14)19(17,18)15-8-4-13(3)5-9-15/h4-11,18H,1-3H3;4-12H,1-3H3;4-11,17H,1-3H3;4-12H,1-3H3
InChIKeyQGDYAYQLYYZHCP-UHFFFAOYSA-N
MW1057.43 g/mol
LogP15.74
Rot. Bonds10

About (4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene

(4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene (PubChem CID 143437924) has the molecular formula C66H72O8S2 and a molecular weight of 1057.43 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
PubChem CID143437924
Molecular FormulaC66H72O8S2
Molecular Weight1057.43 g/mol
Exact Mass1056.47
IUPAC Name(4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
SMILESCC(C)(C)c1ccc(C(=O)c2ccc(O)cc2)cc1.CC(C)(C)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(C)C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C17H18O2.C17H18O.C16H18O3S.C16H18O2S/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13;1-12(2)14-8-10-16(11-9-14)17(18)15-6-4-13(3)5-7-15;1-16(2,3)12-4-8-14(9-5-12)20(18,19)15-10-6-13(17)7-11-15;1-12(2)14-6-10-16(11-7-14)19(17,18)15-8-4-13(3)5-9-15/h4-11,18H,1-3H3;4-12H,1-3H3;4-11,17H,1-3H3;4-12H,1-3H3
InChIKeyQGDYAYQLYYZHCP-UHFFFAOYSA-N
XLogP15.74
TPSA142.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.43
LogP ≤ 515.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene 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

(4-Hydroxyphenyl)-[4-(4-hydroxyphenyl)sulfonylphenyl]methanone
CID 171342583
[4-[4-[[4-[4-(4-Fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone
CID 59648946
4-[[4-[4-(4-Fluorobenzoyl)phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]benzoyl]phenoxy]phenyl]-(4-sulfophenyl)methyl]benzenesulfonic acid
CID 59648949
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 91161784
[[6-(4-Hydroxybenzoyl)naphthalen-2-yl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 141760357
[[4-[4-(4-Hydroxyphenyl)benzoyl]phenyl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 142331762
[4-[4-[2-(4-Methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;bis(1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene);(4-methylphenyl)-[4-[4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]methanone
CID 158042854
Benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene
CID 158257649
[4-[2-Fluoro-4-(4-hydroxybenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;trifluoromethanesulfonate
CID 158534042
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-methyl-4-[4-[4-[2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
CID 158911098
Benzene-1,4-diol;bis(4-hydroxyphenyl)methanone;4,4-bis(4-hydroxyphenyl)pentanoic acid;4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]phenol;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 159445137
Bis(4-hydroxyphenyl)methanone;4-(2,4-dihydroxyphenyl)sulfanylbenzene-1,3-diol;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)-3-methylpentan-2-yl]phenol;2-(4-hydroxyphenyl)sulfonylphenol
CID 160156856

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene?
The IUPAC name of (4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene (CID 143437924) is (4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene.
What is the SMILES notation for (4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene?
The canonical SMILES for (4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene is CC(C)(C)c1ccc(C(=O)c2ccc(O)cc2)cc1.CC(C)(C)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.Cc1ccc(C(=O)c2ccc(C(C)C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene?
The InChIKey is QGDYAYQLYYZHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2.C17H18O.C16H18O3S.C16H18O2S/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13;1-12(2)14-8-10-16(11-9-14)17(18)15-6-4-13(3)5-7-15;1-16(2,3)12-4-8-14(9-5-12)20(18,19)15-10-6-13(17)7-11-15;1-12(2)14-6-10-16(11-7-14)19(17,18)15-8-4-13(3)5-9-15/h4-11,18H,1-3H3;4-12H,1-3H3;4-11,17H,1-3H3;4-12H,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene?
(4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene has a molecular weight of 1057.43 g/mol, XLogP of 15.74, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4-hydroxyphenyl)methanone;4-(4-tert-butylphenyl)sulfonylphenol;(4-methylphenyl)-(4-propan-2-ylphenyl)methanone;1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene is sourced from PubChem (CID 143437924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).