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

C30H30O2S2 — CID 58858445

IUPAC2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]disulfanyl]-4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1ccc(O)c(SSc2cc(C(C)(C)c3ccccc3)ccc2O)c1
InChIInChI=1S/C30H30O2S2/c1-29(2,21-11-7-5-8-12-21)23-15-17-25(31)27(19-23)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
InChIKeyMNSGYCHZMRRQHZ-UHFFFAOYSA-N
MW486.70 g/mol
LogP8.55
Rot. Bonds7

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

2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]disulfanyl]-4-(2-phenylpropan-2-yl)phenol (PubChem CID 58858445) has the molecular formula C30H30O2S2 and a molecular weight of 486.70 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]disulfanyl]-4-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]disulfanyl]-4-(2-phenylpropan-2-yl)phenol
PubChem CID58858445
Molecular FormulaC30H30O2S2
Molecular Weight486.70 g/mol
Exact Mass486.17
IUPAC Name2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]disulfanyl]-4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1ccccc1)c1ccc(O)c(SSc2cc(C(C)(C)c3ccccc3)ccc2O)c1
InChIInChI=1S/C30H30O2S2/c1-29(2,21-11-7-5-8-12-21)23-15-17-25(31)27(19-23)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
InChIKeyMNSGYCHZMRRQHZ-UHFFFAOYSA-N
XLogP8.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.70
LogP ≤ 58.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]disulfanyl]-4-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]disulfanyl]-4-(2-phenylpropan-2-yl)phenol (CID 58858445) is 2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]disulfanyl]-4-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]disulfanyl]-4-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]disulfanyl]-4-(2-phenylpropan-2-yl)phenol is CC(C)(c1ccccc1)c1ccc(O)c(SSc2cc(C(C)(C)c3ccccc3)ccc2O)c1.
What is the InChIKey of 2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]disulfanyl]-4-(2-phenylpropan-2-yl)phenol?
The InChIKey is MNSGYCHZMRRQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2S2/c1-29(2,21-11-7-5-8-12-21)23-15-17-25(31)27(19-23)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]disulfanyl]-4-(2-phenylpropan-2-yl)phenol?
2-[[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]disulfanyl]-4-(2-phenylpropan-2-yl)phenol has a molecular weight of 486.70 g/mol, XLogP of 8.55, 7 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]disulfanyl]-4-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 58858445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).