5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol

C24H34O2S — CID 10156997

IUPAC5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol
SMILESCC(CO)(CCCSCCCC(C)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O2S/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
InChIKeyJWUQKQJBJGXVQR-UHFFFAOYSA-N
MW386.60 g/mol
LogP5.18
Rot. Bonds12

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

5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol (PubChem CID 10156997) has the molecular formula C24H34O2S and a molecular weight of 386.60 g/mol. Its IUPAC name is 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol.

Molecular Properties

Compound Name5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol
PubChem CID10156997
Molecular FormulaC24H34O2S
Molecular Weight386.60 g/mol
Exact Mass386.23
IUPAC Name5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol
SMILESCC(CO)(CCCSCCCC(C)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34O2S/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
InChIKeyJWUQKQJBJGXVQR-UHFFFAOYSA-N
XLogP5.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.60
LogP ≤ 55.18
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-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol?
The IUPAC name of 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol (CID 10156997) is 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol.
What is the SMILES notation for 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol?
The canonical SMILES for 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol is CC(CO)(CCCSCCCC(C)(CO)c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol?
The InChIKey is JWUQKQJBJGXVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2S/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-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol?
5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol has a molecular weight of 386.60 g/mol, XLogP of 5.18, 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-phenylpentyl)sulfanyl-2-methyl-2-phenylpentan-1-ol is sourced from PubChem (CID 10156997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).