2-(2,5-dibutoxyphenyl)thiophene

C18H24O2S — CID 3633099

IUPAC2-(2,5-dibutoxyphenyl)thiophene
SMILESCCCCOc1ccc(OCCCC)c(-c2cccs2)c1
InChIInChI=1S/C18H24O2S/c1-3-5-11-19-15-9-10-17(20-12-6-4-2)16(14-15)18-8-7-13-21-18/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyBZUCQNZAQKIHGF-UHFFFAOYSA-N
MW304.45 g/mol
LogP5.77
Rot. Bonds9

About 2-(2,5-dibutoxyphenyl)thiophene

2-(2,5-dibutoxyphenyl)thiophene (PubChem CID 3633099) has the molecular formula C18H24O2S and a molecular weight of 304.45 g/mol. Its IUPAC name is 2-(2,5-dibutoxyphenyl)thiophene.

Molecular Properties

Compound Name2-(2,5-dibutoxyphenyl)thiophene
PubChem CID3633099
Molecular FormulaC18H24O2S
Molecular Weight304.45 g/mol
Exact Mass304.15
IUPAC Name2-(2,5-dibutoxyphenyl)thiophene
SMILESCCCCOc1ccc(OCCCC)c(-c2cccs2)c1
InChIInChI=1S/C18H24O2S/c1-3-5-11-19-15-9-10-17(20-12-6-4-2)16(14-15)18-8-7-13-21-18/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyBZUCQNZAQKIHGF-UHFFFAOYSA-N
XLogP5.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioctoxyphenyl)thiophene
CID 129070444
5-butoxy-1-benzothiophene
CID 23058090
2-[4-(4-bromophenyl)phenyl]-1,4-didecoxybenzene
CID 155925838
2-(2,5-dihexoxyphenyl)benzene-1,4-dicarbonitrile
CID 102327271
4-[5-(4-octoxyphenyl)thiophen-2-yl]-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 118465093
2-(4-ethoxy-2,3-difluorophenyl)thiophene
CID 143775731
7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine
CID 102340610
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
14,16-bis(2,5-didecoxyphenyl)-3,11-dithiatricyclo[11.2.2.15,9]octadeca-1(15),5(18),6,8,13,16-hexaene
CID 132582202
5-(4-butoxyphenyl)-7-methoxy-2-thiophen-2-yl-3H-1,3,4-benzotriazepine
CID 135403301
2-bromo-3-butoxythiophene
CID 90107659
4-(3-butoxyphenyl)-5-(methylamino)-2-thiophen-2-ylfuran-3-ol
CID 54458578

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibutoxyphenyl)thiophene?
The IUPAC name of 2-(2,5-dibutoxyphenyl)thiophene (CID 3633099) is 2-(2,5-dibutoxyphenyl)thiophene.
What is the SMILES notation for 2-(2,5-dibutoxyphenyl)thiophene?
The canonical SMILES for 2-(2,5-dibutoxyphenyl)thiophene is CCCCOc1ccc(OCCCC)c(-c2cccs2)c1.
What is the InChIKey of 2-(2,5-dibutoxyphenyl)thiophene?
The InChIKey is BZUCQNZAQKIHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2S/c1-3-5-11-19-15-9-10-17(20-12-6-4-2)16(14-15)18-8-7-13-21-18/h7-10,13-14H,3-6,11-12H2,1-2H3.
What are the key properties of 2-(2,5-dibutoxyphenyl)thiophene?
2-(2,5-dibutoxyphenyl)thiophene has a molecular weight of 304.45 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibutoxyphenyl)thiophene is sourced from PubChem (CID 3633099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).