3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene

C21H24O2S2 — CID 86247160

IUPAC3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene
SMILESCOc1ccc(OCCCCCCc2ccsc2-c2cccs2)cc1
InChIInChI=1S/C21H24O2S2/c1-22-18-9-11-19(12-10-18)23-14-5-3-2-4-7-17-13-16-25-21(17)20-8-6-15-24-20/h6,8-13,15-16H,2-5,7,14H2,1H3
InChIKeyPDNPWZSEVUOAGI-UHFFFAOYSA-N
MW372.56 g/mol
LogP6.67
Rot. Bonds10

About 3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene

3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene (PubChem CID 86247160) has the molecular formula C21H24O2S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene
PubChem CID86247160
Molecular FormulaC21H24O2S2
Molecular Weight372.56 g/mol
Exact Mass372.12
IUPAC Name3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene
SMILESCOc1ccc(OCCCCCCc2ccsc2-c2cccs2)cc1
InChIInChI=1S/C21H24O2S2/c1-22-18-9-11-19(12-10-18)23-14-5-3-2-4-7-17-13-16-25-21(17)20-8-6-15-24-20/h6,8-13,15-16H,2-5,7,14H2,1H3
InChIKeyPDNPWZSEVUOAGI-UHFFFAOYSA-N
XLogP6.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-thiophen-2-yl-3-[5-[2-[2-[2-[2-[5-(2-thiophen-2-ylthiophen-3-yl)pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentyl]thiophene
CID 100949175
5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxylic acid
CID 102186946
3-(9-fluorononyl)-2-thiophen-2-ylthiophene
CID 155899382
1-N,3-N-diphenyl-5-[6-(2-thiophen-2-ylthiophen-3-yl)hexoxy]benzene-1,3-dicarboxamide
CID 102186947
3-pentyl-2-thiophen-2-ylthiophene;phenazine
CID 175409994
3-propyl-2-thiophen-2-ylthiophene
CID 69104145
1-(3-hexylthiophen-2-yl)-3-thiophen-2-yl-2-benzothiophene
CID 10667631
1-methoxy-4-tetradecoxybenzene
CID 91712423
7-(4-octoxyphenyl)-4,10-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 141443741
[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene?
The IUPAC name of 3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene (CID 86247160) is 3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene.
What is the SMILES notation for 3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene?
The canonical SMILES for 3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene is COc1ccc(OCCCCCCc2ccsc2-c2cccs2)cc1.
What is the InChIKey of 3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene?
The InChIKey is PDNPWZSEVUOAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2S2/c1-22-18-9-11-19(12-10-18)23-14-5-3-2-4-7-17-13-16-25-21(17)20-8-6-15-24-20/h6,8-13,15-16H,2-5,7,14H2,1H3.
What are the key properties of 3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene?
3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene has a molecular weight of 372.56 g/mol, XLogP of 6.67, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methoxyphenoxy)hexyl]-2-thiophen-2-ylthiophene is sourced from PubChem (CID 86247160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).