6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol

C24H34O6S — CID 68780789

IUPAC6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol
SMILESCCC(O)CCCOc1ccccc1S(=O)(=O)c1ccccc1OCCCC(O)CC
InChIInChI=1S/C24H34O6S/c1-3-19(25)11-9-17-29-21-13-5-7-15-23(21)31(27,28)24-16-8-6-14-22(24)30-18-10-12-20(26)4-2/h5-8,13-16,19-20,25-26H,3-4,9-12,17-18H2,1-2H3
InChIKeyNXAIFLKFNMPHFB-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.38
Rot. Bonds14

About 6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol

6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol (PubChem CID 68780789) has the molecular formula C24H34O6S and a molecular weight of 450.60 g/mol. Its IUPAC name is 6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol.

Molecular Properties

Compound Name6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol
PubChem CID68780789
Molecular FormulaC24H34O6S
Molecular Weight450.60 g/mol
Exact Mass450.21
IUPAC Name6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol
SMILESCCC(O)CCCOc1ccccc1S(=O)(=O)c1ccccc1OCCCC(O)CC
InChIInChI=1S/C24H34O6S/c1-3-19(25)11-9-17-29-21-13-5-7-15-23(21)31(27,28)24-16-8-6-14-22(24)30-18-10-12-20(26)4-2/h5-8,13-16,19-20,25-26H,3-4,9-12,17-18H2,1-2H3
InChIKeyNXAIFLKFNMPHFB-UHFFFAOYSA-N
XLogP4.38
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol
CID 167993413
2-butoxybenzenesulfonic acid
CID 22564598
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707
4-(2-pentoxyphenyl)sulfonylphenol
CID 101144520
bis(4-hydroxyhexyl) benzene-1,2-dicarboxylate
CID 175223027
6-anilinooxyhexan-3-ol
CID 21497197
2-octadecoxybenzenesulfonic acid
CID 154123523
2-butoxybenzenesulfonyl chloride
CID 21253032
6-(2,6-dimethylphenoxy)hexan-3-ol
CID 106802636
1-ethylsulfonyl-2-pentoxybenzene;pentane
CID 174761718
2-pentoxybenzenesulfonyl chloride
CID 87516954

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol?
The IUPAC name of 6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol (CID 68780789) is 6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol.
What is the SMILES notation for 6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol?
The canonical SMILES for 6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol is CCC(O)CCCOc1ccccc1S(=O)(=O)c1ccccc1OCCCC(O)CC.
What is the InChIKey of 6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol?
The InChIKey is NXAIFLKFNMPHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O6S/c1-3-19(25)11-9-17-29-21-13-5-7-15-23(21)31(27,28)24-16-8-6-14-22(24)30-18-10-12-20(26)4-2/h5-8,13-16,19-20,25-26H,3-4,9-12,17-18H2,1-2H3.
What are the key properties of 6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol?
6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol has a molecular weight of 450.60 g/mol, XLogP of 4.38, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol is sourced from PubChem (CID 68780789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).