2-benzyl-5-(2-methylbutyl)thiophene

C16H20S — CID 57041002

IUPAC2-benzyl-5-(2-methylbutyl)thiophene
SMILESCCC(C)Cc1ccc(Cc2ccccc2)s1
InChIInChI=1S/C16H20S/c1-3-13(2)11-15-9-10-16(17-15)12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3
InChIKeyZEJOBDPQVKCLBV-UHFFFAOYSA-N
MW244.40 g/mol
LogP4.93
Rot. Bonds5

About 2-benzyl-5-(2-methylbutyl)thiophene

2-benzyl-5-(2-methylbutyl)thiophene (PubChem CID 57041002) has the molecular formula C16H20S and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-benzyl-5-(2-methylbutyl)thiophene.

Molecular Properties

Compound Name2-benzyl-5-(2-methylbutyl)thiophene
PubChem CID57041002
Molecular FormulaC16H20S
Molecular Weight244.40 g/mol
Exact Mass244.13
IUPAC Name2-benzyl-5-(2-methylbutyl)thiophene
SMILESCCC(C)Cc1ccc(Cc2ccccc2)s1
InChIInChI=1S/C16H20S/c1-3-13(2)11-15-9-10-16(17-15)12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3
InChIKeyZEJOBDPQVKCLBV-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-(2-methylbutyl)thiophene
CID 88977809
1,3-bis[(2S)-2-methylbutyl]benzene
CID 102208674
[5-(2-methylbutyl)thiophen-2-yl]methanimine
CID 143618608
2-(2-benzyl-3-chloropropyl)-5-ethylthiophene
CID 66036527
1-ethyl-2-(2-methylbutyl)benzene
CID 91267290
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
2-(5-benzylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169094948
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564
[2-(2-methylbutyl)phenyl]methanol
CID 66698085
5-methylheptylbenzene
CID 564254
methane;[(2R)-2-methylbutyl]benzene;(1S,2R)-2-methyl-1-phenylbutan-1-ol
CID 167593098

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2-methylbutyl)thiophene?
The IUPAC name of 2-benzyl-5-(2-methylbutyl)thiophene (CID 57041002) is 2-benzyl-5-(2-methylbutyl)thiophene.
What is the SMILES notation for 2-benzyl-5-(2-methylbutyl)thiophene?
The canonical SMILES for 2-benzyl-5-(2-methylbutyl)thiophene is CCC(C)Cc1ccc(Cc2ccccc2)s1.
What is the InChIKey of 2-benzyl-5-(2-methylbutyl)thiophene?
The InChIKey is ZEJOBDPQVKCLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20S/c1-3-13(2)11-15-9-10-16(17-15)12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of 2-benzyl-5-(2-methylbutyl)thiophene?
2-benzyl-5-(2-methylbutyl)thiophene has a molecular weight of 244.40 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2-methylbutyl)thiophene is sourced from PubChem (CID 57041002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).