3-butyl-2-(3,4-dimethoxyphenyl)thiophene

C16H20O2S — CID 25132177

IUPAC3-butyl-2-(3,4-dimethoxyphenyl)thiophene
SMILESCCCCc1ccsc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H20O2S/c1-4-5-6-12-9-10-19-16(12)13-7-8-14(17-2)15(11-13)18-3/h7-11H,4-6H2,1-3H3
InChIKeyNAOHELUCQFUWKT-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.77
Rot. Bonds6

About 3-butyl-2-(3,4-dimethoxyphenyl)thiophene

3-butyl-2-(3,4-dimethoxyphenyl)thiophene (PubChem CID 25132177) has the molecular formula C16H20O2S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-butyl-2-(3,4-dimethoxyphenyl)thiophene.

Molecular Properties

Compound Name3-butyl-2-(3,4-dimethoxyphenyl)thiophene
PubChem CID25132177
Molecular FormulaC16H20O2S
Molecular Weight276.40 g/mol
Exact Mass276.12
IUPAC Name3-butyl-2-(3,4-dimethoxyphenyl)thiophene
SMILESCCCCc1ccsc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H20O2S/c1-4-5-6-12-9-10-19-16(12)13-7-8-14(17-2)15(11-13)18-3/h7-11H,4-6H2,1-3H3
InChIKeyNAOHELUCQFUWKT-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-butyl-5-(3-chloro-4-methoxyphenyl)-1,3,4-thiadiazole
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3-butyl-5-[3-[4-butyl-5-(3-butylthiophen-2-yl)thiophen-2-yl]propyl]-2-(3-butylthiophen-2-yl)thiophene
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CID 178159435
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
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3-(3,4-dimethoxyphenyl)-5-heptyl-1,2,4-oxadiazole
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3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene
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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(3,4-dimethoxyphenyl)thiophene?
The IUPAC name of 3-butyl-2-(3,4-dimethoxyphenyl)thiophene (CID 25132177) is 3-butyl-2-(3,4-dimethoxyphenyl)thiophene.
What is the SMILES notation for 3-butyl-2-(3,4-dimethoxyphenyl)thiophene?
The canonical SMILES for 3-butyl-2-(3,4-dimethoxyphenyl)thiophene is CCCCc1ccsc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-butyl-2-(3,4-dimethoxyphenyl)thiophene?
The InChIKey is NAOHELUCQFUWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2S/c1-4-5-6-12-9-10-19-16(12)13-7-8-14(17-2)15(11-13)18-3/h7-11H,4-6H2,1-3H3.
What are the key properties of 3-butyl-2-(3,4-dimethoxyphenyl)thiophene?
3-butyl-2-(3,4-dimethoxyphenyl)thiophene has a molecular weight of 276.40 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(3,4-dimethoxyphenyl)thiophene is sourced from PubChem (CID 25132177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).