5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene

C19H26O2S — CID 134999835

IUPAC5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene
SMILESCCCCCCc1cc(-c2ccc(OC)cc2OC)sc1C
InChIInChI=1S/C19H26O2S/c1-5-6-7-8-9-15-12-19(22-14(15)2)17-11-10-16(20-3)13-18(17)21-4/h10-13H,5-9H2,1-4H3
InChIKeyZBZFJVFCUUKIIV-UHFFFAOYSA-N
MW318.48 g/mol
LogP5.86
Rot. Bonds8

About 5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene

5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene (PubChem CID 134999835) has the molecular formula C19H26O2S and a molecular weight of 318.48 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene
PubChem CID134999835
Molecular FormulaC19H26O2S
Molecular Weight318.48 g/mol
Exact Mass318.17
IUPAC Name5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene
SMILESCCCCCCc1cc(-c2ccc(OC)cc2OC)sc1C
InChIInChI=1S/C19H26O2S/c1-5-6-7-8-9-15-12-19(22-14(15)2)17-11-10-16(20-3)13-18(17)21-4/h10-13H,5-9H2,1-4H3
InChIKeyZBZFJVFCUUKIIV-UHFFFAOYSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.48
LogP ≤ 55.86
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

1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
4-(4-hexyl-5-methylthiophen-2-yl)-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 147935099
2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene
CID 102205396
4-(4-hexyl-5-methylthiophen-2-yl)-7-(4-hexylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 118438492
3-hexyl-2-[4-hexyl-5-[4-hexyl-5-(4-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58239839
1,5-dimethoxy-2-methylsulfanyl-3-pentylbenzene
CID 156744288
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
2,4-dimethoxy-1-oct-1-en-2-ylbenzene
CID 101483089
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
5-bromo-3-hexyl-2-methylthiophene
CID 58352067
2,4-dimethoxy-6-pentylphenol
CID 13197794

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene (CID 134999835) is 5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene is CCCCCCc1cc(-c2ccc(OC)cc2OC)sc1C.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene?
The InChIKey is ZBZFJVFCUUKIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2S/c1-5-6-7-8-9-15-12-19(22-14(15)2)17-11-10-16(20-3)13-18(17)21-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene?
5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene has a molecular weight of 318.48 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-3-hexyl-2-methylthiophene is sourced from PubChem (CID 134999835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).