6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol

C26H38O3S — CID 18752665

IUPAC6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol
SMILESCC(CCO)(CCCS(=O)CCCC(C)(CCO)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38O3S/c1-25(17-19-27,23-11-5-3-6-12-23)15-9-21-30(29)22-10-16-26(2,18-20-28)24-13-7-4-8-14-24/h3-8,11-14,27-28H,9-10,15-22H2,1-2H3
InChIKeyNTEMFCHMPDPRHQ-UHFFFAOYSA-N
MW430.65 g/mol
LogP4.98
Rot. Bonds14

About 6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol

6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol (PubChem CID 18752665) has the molecular formula C26H38O3S and a molecular weight of 430.65 g/mol. Its IUPAC name is 6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol.

Molecular Properties

Compound Name6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol
PubChem CID18752665
Molecular FormulaC26H38O3S
Molecular Weight430.65 g/mol
Exact Mass430.25
IUPAC Name6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol
SMILESCC(CCO)(CCCS(=O)CCCC(C)(CCO)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38O3S/c1-25(17-19-27,23-11-5-3-6-12-23)15-9-21-30(29)22-10-16-26(2,18-20-28)24-13-7-4-8-14-24/h3-8,11-14,27-28H,9-10,15-22H2,1-2H3
InChIKeyNTEMFCHMPDPRHQ-UHFFFAOYSA-N
XLogP4.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.65
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol?
The IUPAC name of 6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol (CID 18752665) is 6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol.
What is the SMILES notation for 6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol?
The canonical SMILES for 6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol is CC(CCO)(CCCS(=O)CCCC(C)(CCO)c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol?
The InChIKey is NTEMFCHMPDPRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O3S/c1-25(17-19-27,23-11-5-3-6-12-23)15-9-21-30(29)22-10-16-26(2,18-20-28)24-13-7-4-8-14-24/h3-8,11-14,27-28H,9-10,15-22H2,1-2H3.
What are the key properties of 6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol?
6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol has a molecular weight of 430.65 g/mol, XLogP of 4.98, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxy-4-methyl-4-phenylhexyl)sulfinyl-3-methyl-3-phenylhexan-1-ol is sourced from PubChem (CID 18752665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).