3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol

C37H28O3S — CID 10030517

IUPAC3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol
SMILESCc1ccc(S(=O)(=O)c2c(-c3ccccc3)c(O)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C37H28O3S/c1-26-22-24-31(25-23-26)41(39,40)37-34(29-18-10-4-11-19-29)32(27-14-6-2-7-15-27)33(28-16-8-3-9-17-28)36(38)35(37)30-20-12-5-13-21-30/h2-25,38H,1H3
InChIKeyLZIBCAIPDITPAQ-UHFFFAOYSA-N
MW552.70 g/mol
LogP9.20
Rot. Bonds6

About 3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol

3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol (PubChem CID 10030517) has the molecular formula C37H28O3S and a molecular weight of 552.70 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol
PubChem CID10030517
Molecular FormulaC37H28O3S
Molecular Weight552.70 g/mol
Exact Mass552.18
IUPAC Name3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol
SMILESCc1ccc(S(=O)(=O)c2c(-c3ccccc3)c(O)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C37H28O3S/c1-26-22-24-31(25-23-26)41(39,40)37-34(29-18-10-4-11-19-29)32(27-14-6-2-7-15-27)33(28-16-8-3-9-17-28)36(38)35(37)30-20-12-5-13-21-30/h2-25,38H,1H3
InChIKeyLZIBCAIPDITPAQ-UHFFFAOYSA-N
XLogP9.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.70
LogP ≤ 59.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Tosylanthracene-1,4-diol
CID 44562748
2-(4-Methanesulfonyl-benzyl)-naphthalen-1-ol
CID 15617894
6-(3-Hydroxyphenyl)-1-(4-methylphenyl)sulfonylnaphthalen-2-ol
CID 24949871
1-(Benzenesulfonyl)-6-(3-hydroxyphenyl)naphthalen-2-ol
CID 24950392
2-Naphthalenesulfonic acid, 3-((5-hydroxy-2-((4-hydroxyphenyl)sulfonyl)phenyl)methyl)-, sodium salt (1:1)
CID 23668783
2-Benzyl-4-methanesulfonyl-naphthalen-1-ol
CID 14854925
1-[(E)-1-(benzenesulfonyl)-2-[7-fluoro-2-(4-fluorophenyl)naphthalen-1-yl]-2-iodoethenyl]naphthalen-2-ol
CID 138977804
(1R,3S,4S)-4-(4-fluorophenyl)-1-methyl-3-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrophenanthren-9-ol
CID 139095468
8-(8-Hydroxy-3,6-disulfopyren-1-yl)sulfonyloxypyrene-1,3,6-trisulfonic acid
CID 56618711
1-Hydroxypyrene-3,5,7-sulfonic acid
CID 87392802
8-(3-Hydroxy-6,8-disulfopyren-1-yl)sulfonyloxypyrene-1,3,6-trisulfonic acid
CID 91602020
7-Methyl-3-(4-methylphenyl)sulfonyl-4-phenylnaphthalen-1-ol
CID 154631518

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol (CID 10030517) is 3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol is Cc1ccc(S(=O)(=O)c2c(-c3ccccc3)c(O)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol?
The InChIKey is LZIBCAIPDITPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28O3S/c1-26-22-24-31(25-23-26)41(39,40)37-34(29-18-10-4-11-19-29)32(27-14-6-2-7-15-27)33(28-16-8-3-9-17-28)36(38)35(37)30-20-12-5-13-21-30/h2-25,38H,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol?
3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol has a molecular weight of 552.70 g/mol, XLogP of 9.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-2,4,5,6-tetraphenylphenol is sourced from PubChem (CID 10030517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).