bis(5-methyl-2-propan-2-ylphenol);dihydroiodide

C20H30I2O2 — CID 69164517

IUPACbis(5-methyl-2-propan-2-ylphenol);dihydroiodide
SMILESCc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(O)c1.I.I
InChIInChI=1S/2C10H14O.2HI/c2*1-7(2)9-5-4-8(3)6-10(9)11;;/h2*4-7,11H,1-3H3;2*1H
InChIKeyDFVHVIQKVDWRRZ-UHFFFAOYSA-N
MW556.27 g/mol
LogP6.88
Rot. Bonds2

About bis(5-methyl-2-propan-2-ylphenol);dihydroiodide

bis(5-methyl-2-propan-2-ylphenol);dihydroiodide (PubChem CID 69164517) has the molecular formula C20H30I2O2 and a molecular weight of 556.27 g/mol. Its IUPAC name is bis(5-methyl-2-propan-2-ylphenol);dihydroiodide.

Molecular Properties

Compound Namebis(5-methyl-2-propan-2-ylphenol);dihydroiodide
PubChem CID69164517
Molecular FormulaC20H30I2O2
Molecular Weight556.27 g/mol
Exact Mass556.03
IUPAC Namebis(5-methyl-2-propan-2-ylphenol);dihydroiodide
SMILESCc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(O)c1.I.I
InChIInChI=1S/2C10H14O.2HI/c2*1-7(2)9-5-4-8(3)6-10(9)11;;/h2*4-7,11H,1-3H3;2*1H
InChIKeyDFVHVIQKVDWRRZ-UHFFFAOYSA-N
XLogP6.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.27
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 68551781
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2-(1-amino-2-methylpropyl)-5-methylphenol
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5-methyl-2-propan-2-ylphenol;octan-3-one
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CID 67240040
2-[bis(4-methylphenyl)methyl]-5-methylphenol
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Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-2-propan-2-ylphenol);dihydroiodide?
The IUPAC name of bis(5-methyl-2-propan-2-ylphenol);dihydroiodide (CID 69164517) is bis(5-methyl-2-propan-2-ylphenol);dihydroiodide.
What is the SMILES notation for bis(5-methyl-2-propan-2-ylphenol);dihydroiodide?
The canonical SMILES for bis(5-methyl-2-propan-2-ylphenol);dihydroiodide is Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c(O)c1.I.I.
What is the InChIKey of bis(5-methyl-2-propan-2-ylphenol);dihydroiodide?
The InChIKey is DFVHVIQKVDWRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14O.2HI/c2*1-7(2)9-5-4-8(3)6-10(9)11;;/h2*4-7,11H,1-3H3;2*1H.
What are the key properties of bis(5-methyl-2-propan-2-ylphenol);dihydroiodide?
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide has a molecular weight of 556.27 g/mol, XLogP of 6.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methyl-2-propan-2-ylphenol);dihydroiodide is sourced from PubChem (CID 69164517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).