6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol

C32H38O4S2 — CID 167993413

IUPAC6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol
SMILESCCC(O)CCCOc1ccccc1-c1ccc(-c2ccc(-c3ccccc3OCCCC(O)CC)s2)s1
InChIInChI=1S/C32H38O4S2/c1-3-23(33)11-9-21-35-27-15-7-5-13-25(27)29-17-19-31(37-29)32-20-18-30(38-32)26-14-6-8-16-28(26)36-22-10-12-24(34)4-2/h5-8,13-20,23-24,33-34H,3-4,9-12,21-22H2,1-2H3
InChIKeyLRIBMZMSISAYKI-UHFFFAOYSA-N
MW550.79 g/mol
LogP8.67
Rot. Bonds15

About 6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol

6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol (PubChem CID 167993413) has the molecular formula C32H38O4S2 and a molecular weight of 550.79 g/mol. Its IUPAC name is 6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol.

Molecular Properties

Compound Name6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol
PubChem CID167993413
Molecular FormulaC32H38O4S2
Molecular Weight550.79 g/mol
Exact Mass550.22
IUPAC Name6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol
SMILESCCC(O)CCCOc1ccccc1-c1ccc(-c2ccc(-c3ccccc3OCCCC(O)CC)s2)s1
InChIInChI=1S/C32H38O4S2/c1-3-23(33)11-9-21-35-27-15-7-5-13-25(27)29-17-19-31(37-29)32-20-18-30(38-32)26-14-6-8-16-28(26)36-22-10-12-24(34)4-2/h5-8,13-20,23-24,33-34H,3-4,9-12,21-22H2,1-2H3
InChIKeyLRIBMZMSISAYKI-UHFFFAOYSA-N
XLogP8.67
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.79
LogP ≤ 58.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol with MolForge

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Related Compounds

6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol
CID 68780789
1-(2-methoxyphenoxy)pentan-3-ol
CID 112501425
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707
6-anilinooxyhexan-3-ol
CID 21497197
6-(2,6-dimethylphenoxy)hexan-3-ol
CID 106802636
1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol
CID 24906226
bis(4-hydroxyhexyl) benzene-1,2-dicarboxylate
CID 175223027
2-(2-hydroxybutoxy)phenol
CID 58593134
1-ethyl-4-[2-(4-ethylhexoxy)phenyl]benzene
CID 151976175
6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
[3,5-bis[2-(4-ethylhexoxy)phenyl]phenyl]boronic acid
CID 68644575
6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol
CID 106802628

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol?
The IUPAC name of 6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol (CID 167993413) is 6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol.
What is the SMILES notation for 6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol?
The canonical SMILES for 6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol is CCC(O)CCCOc1ccccc1-c1ccc(-c2ccc(-c3ccccc3OCCCC(O)CC)s2)s1.
What is the InChIKey of 6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol?
The InChIKey is LRIBMZMSISAYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O4S2/c1-3-23(33)11-9-21-35-27-15-7-5-13-25(27)29-17-19-31(37-29)32-20-18-30(38-32)26-14-6-8-16-28(26)36-22-10-12-24(34)4-2/h5-8,13-20,23-24,33-34H,3-4,9-12,21-22H2,1-2H3.
What are the key properties of 6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol?
6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol has a molecular weight of 550.79 g/mol, XLogP of 8.67, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-[5-[2-(4-hydroxyhexoxy)phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexan-3-ol is sourced from PubChem (CID 167993413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).