2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol

C48H50O4S — CID 71427223

IUPAC2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(O)c(S(=O)(=O)c2cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c2O)c1
InChIInChI=1S/C48H50O4S/c1-45(2,33-21-13-9-14-22-33)37-29-39(47(5,6)35-25-17-11-18-26-35)43(49)41(31-37)53(51,52)42-32-38(46(3,4)34-23-15-10-16-24-34)30-40(44(42)50)48(7,8)36-27-19-12-20-28-36/h9-32,49-50H,1-8H3
InChIKeyJDVLDGXEAIAGLL-UHFFFAOYSA-N
MW722.99 g/mol
LogP11.23
Rot. Bonds10

About 2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol

2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol (PubChem CID 71427223) has the molecular formula C48H50O4S and a molecular weight of 722.99 g/mol. Its IUPAC name is 2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol
PubChem CID71427223
Molecular FormulaC48H50O4S
Molecular Weight722.99 g/mol
Exact Mass722.34
IUPAC Name2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(O)c(S(=O)(=O)c2cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c2O)c1
InChIInChI=1S/C48H50O4S/c1-45(2,33-21-13-9-14-22-33)37-29-39(47(5,6)35-25-17-11-18-26-35)43(49)41(31-37)53(51,52)42-32-38(46(3,4)34-23-15-10-16-24-34)30-40(44(42)50)48(7,8)36-27-19-12-20-28-36/h9-32,49-50H,1-8H3
InChIKeyJDVLDGXEAIAGLL-UHFFFAOYSA-N
XLogP11.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.99
LogP ≤ 511.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol
CID 14848714
2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzenesulfonic acid
CID 57148231
2-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid;zinc;hydrate
CID 67943288
2,4-bis(2-phenylpropan-2-yl)-6-(sulfanylmethyl)phenol
CID 89410298
2-amino-4,6-bis(2-phenylpropan-2-yl)phenol;cyclohexa-2,6-diene-1,2-diamine
CID 145365952
2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid
CID 21413982
5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
CID 86722291
2-phenylpropan-2-ylbenzene
CID 13065
2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 136760092
2-[2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfanylcycloheptyl]sulfanyl-4,6-bis(2-phenylpropan-2-yl)phenol
CID 139256826
2-hydroxy-6-methyl-3,5-bis(2-phenylpropan-2-yl)benzoic acid;trihydrate
CID 173352352
2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid
CID 14548775

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol (CID 71427223) is 2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol is CC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(O)c(S(=O)(=O)c2cc(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c2O)c1.
What is the InChIKey of 2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol?
The InChIKey is JDVLDGXEAIAGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50O4S/c1-45(2,33-21-13-9-14-22-33)37-29-39(47(5,6)35-25-17-11-18-26-35)43(49)41(31-37)53(51,52)42-32-38(46(3,4)34-23-15-10-16-24-34)30-40(44(42)50)48(7,8)36-27-19-12-20-28-36/h9-32,49-50H,1-8H3.
What are the key properties of 2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol?
2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol has a molecular weight of 722.99 g/mol, XLogP of 11.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 71427223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).