2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol

C30H30O4S — CID 14848714

IUPAC2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1ccc(O)c(S(=O)(=O)c2cc(C(C)(C)c3ccccc3)ccc2O)c1
InChIInChI=1S/C30H30O4S/c1-29(2,21-11-7-5-8-12-21)23-15-17-25(31)27(19-23)35(33,34)28-20-24(16-18-26(28)32)30(3,4)22-13-9-6-10-14-22/h5-20,31-32H,1-4H3
InChIKeyHGUGMCFJVZLLHV-UHFFFAOYSA-N
MW486.63 g/mol
LogP6.58
Rot. Bonds6

About 2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol

2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol (PubChem CID 14848714) has the molecular formula C30H30O4S and a molecular weight of 486.63 g/mol. Its IUPAC name is 2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol
PubChem CID14848714
Molecular FormulaC30H30O4S
Molecular Weight486.63 g/mol
Exact Mass486.19
IUPAC Name2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1ccc(O)c(S(=O)(=O)c2cc(C(C)(C)c3ccccc3)ccc2O)c1
InChIInChI=1S/C30H30O4S/c1-29(2,21-11-7-5-8-12-21)23-15-17-25(31)27(19-23)35(33,34)28-20-24(16-18-26(28)32)30(3,4)22-13-9-6-10-14-22/h5-20,31-32H,1-4H3
InChIKeyHGUGMCFJVZLLHV-UHFFFAOYSA-N
XLogP6.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.63
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol
CID 71427223
potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid
CID 173416926
2-(aminomethyl)-4-(2-phenylpropan-2-yl)phenol
CID 12652121
2-phenylpropan-2-ylbenzene
CID 13065
[4-(2-phenylpropan-2-yl)phenyl] 2-hydroxy-5-(2-phenylpropan-2-yl)benzoate
CID 23468248
4-[2-[3-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-phenylphenol
CID 169187760
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-phenylphenol
CID 19824837
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(1-phenylethyl)phenol
CID 71400293
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol (CID 14848714) is 2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol is CC(C)(c1ccccc1)c1ccc(O)c(S(=O)(=O)c2cc(C(C)(C)c3ccccc3)ccc2O)c1.
What is the InChIKey of 2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol?
The InChIKey is HGUGMCFJVZLLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O4S/c1-29(2,21-11-7-5-8-12-21)23-15-17-25(31)27(19-23)35(33,34)28-20-24(16-18-26(28)32)30(3,4)22-13-9-6-10-14-22/h5-20,31-32H,1-4H3.
What are the key properties of 2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol?
2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol has a molecular weight of 486.63 g/mol, XLogP of 6.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 14848714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).