2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol

C20H26O2S2 — CID 139245406

IUPAC2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol
SMILESCc1cc(C(C)C)cc(SSc2cc(C(C)C)cc(C)c2O)c1O
InChIInChI=1S/C20H26O2S2/c1-11(2)15-7-13(5)19(21)17(9-15)23-24-18-10-16(12(3)4)8-14(6)20(18)22/h7-12,21-22H,1-6H3
InChIKeyBKHLFPUKDWWAMB-UHFFFAOYSA-N
MW362.56 g/mol
LogP6.76
Rot. Bonds5

About 2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol

2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol (PubChem CID 139245406) has the molecular formula C20H26O2S2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol
PubChem CID139245406
Molecular FormulaC20H26O2S2
Molecular Weight362.56 g/mol
Exact Mass362.14
IUPAC Name2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol
SMILESCc1cc(C(C)C)cc(SSc2cc(C(C)C)cc(C)c2O)c1O
InChIInChI=1S/C20H26O2S2/c1-11(2)15-7-13(5)19(21)17(9-15)23-24-18-10-16(12(3)4)8-14(6)20(18)22/h7-12,21-22H,1-6H3
InChIKeyBKHLFPUKDWWAMB-UHFFFAOYSA-N
XLogP6.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 56.76
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-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol?
The IUPAC name of 2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol (CID 139245406) is 2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol.
What is the SMILES notation for 2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol?
The canonical SMILES for 2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol is Cc1cc(C(C)C)cc(SSc2cc(C(C)C)cc(C)c2O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol?
The InChIKey is BKHLFPUKDWWAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2S2/c1-11(2)15-7-13(5)19(21)17(9-15)23-24-18-10-16(12(3)4)8-14(6)20(18)22/h7-12,21-22H,1-6H3.
What are the key properties of 2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol?
2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol has a molecular weight of 362.56 g/mol, XLogP of 6.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)disulfanyl]-6-methyl-4-propan-2-ylphenol is sourced from PubChem (CID 139245406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).