5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol

C24H34O3 — CID 11326187

IUPAC5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol
SMILESCC(CO)(CCCOCCCC(C)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O3/c1-23(19-25,21-11-5-3-6-12-21)15-9-17-27-18-10-16-24(2,20-26)22-13-7-4-8-14-22/h3-8,11-14,25-26H,9-10,15-20H2,1-2H3
InChIKeyUKNKRMSLEXHXAN-UHFFFAOYSA-N
MW370.53 g/mol
LogP4.46
Rot. Bonds12

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

5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol (PubChem CID 11326187) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol.

Molecular Properties

Compound Name5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol
PubChem CID11326187
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol
SMILESCC(CO)(CCCOCCCC(C)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O3/c1-23(19-25,21-11-5-3-6-12-21)15-9-17-27-18-10-16-24(2,20-26)22-13-7-4-8-14-22/h3-8,11-14,25-26H,9-10,15-20H2,1-2H3
InChIKeyUKNKRMSLEXHXAN-UHFFFAOYSA-N
XLogP4.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 54.46
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 5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol?
The IUPAC name of 5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol (CID 11326187) is 5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol.
What is the SMILES notation for 5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol?
The canonical SMILES for 5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol is CC(CO)(CCCOCCCC(C)(CO)c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol?
The InChIKey is UKNKRMSLEXHXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-23(19-25,21-11-5-3-6-12-21)15-9-17-27-18-10-16-24(2,20-26)22-13-7-4-8-14-22/h3-8,11-14,25-26H,9-10,15-20H2,1-2H3.
What are the key properties of 5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol?
5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol has a molecular weight of 370.53 g/mol, XLogP of 4.46, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-4-methyl-4-phenylpentoxy)-2-methyl-2-phenylpentan-1-ol is sourced from PubChem (CID 11326187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).