6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol

C25H36O3 — CID 11474604

IUPAC6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol
SMILESCC(CO)(CCCCOCCCC(C)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36O3/c1-24(20-26,22-12-5-3-6-13-22)16-9-10-18-28-19-11-17-25(2,21-27)23-14-7-4-8-15-23/h3-8,12-15,26-27H,9-11,16-21H2,1-2H3
InChIKeySGKZCVICEDUAGP-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.85
Rot. Bonds13

About 6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol

6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol (PubChem CID 11474604) has the molecular formula C25H36O3 and a molecular weight of 384.56 g/mol. Its IUPAC name is 6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol.

Molecular Properties

Compound Name6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol
PubChem CID11474604
Molecular FormulaC25H36O3
Molecular Weight384.56 g/mol
Exact Mass384.27
IUPAC Name6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol
SMILESCC(CO)(CCCCOCCCC(C)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36O3/c1-24(20-26,22-12-5-3-6-13-22)16-9-10-18-28-19-11-17-25(2,21-27)23-14-7-4-8-15-23/h3-8,12-15,26-27H,9-11,16-21H2,1-2H3
InChIKeySGKZCVICEDUAGP-UHFFFAOYSA-N
XLogP4.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol?
The IUPAC name of 6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol (CID 11474604) is 6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol.
What is the SMILES notation for 6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol?
The canonical SMILES for 6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol is CC(CO)(CCCCOCCCC(C)(CO)c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol?
The InChIKey is SGKZCVICEDUAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O3/c1-24(20-26,22-12-5-3-6-13-22)16-9-10-18-28-19-11-17-25(2,21-27)23-14-7-4-8-15-23/h3-8,12-15,26-27H,9-11,16-21H2,1-2H3.
What are the key properties of 6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol?
6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol has a molecular weight of 384.56 g/mol, XLogP of 4.85, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylhexan-1-ol is sourced from PubChem (CID 11474604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).