3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene

C18H20S — CID 173084225

IUPAC3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene
SMILESCCCC1=C(c2scc(C)c2C)Cc2ccccc21
InChIInChI=1S/C18H20S/c1-4-7-16-15-9-6-5-8-14(15)10-17(16)18-13(3)12(2)11-19-18/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyJBVDIKHIZURKOJ-UHFFFAOYSA-N
MW268.43 g/mol
LogP5.63
Rot. Bonds3

About 3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene

3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene (PubChem CID 173084225) has the molecular formula C18H20S and a molecular weight of 268.43 g/mol. Its IUPAC name is 3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene.

Molecular Properties

Compound Name3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene
PubChem CID173084225
Molecular FormulaC18H20S
Molecular Weight268.43 g/mol
Exact Mass268.13
IUPAC Name3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene
SMILESCCCC1=C(c2scc(C)c2C)Cc2ccccc21
InChIInChI=1S/C18H20S/c1-4-7-16-15-9-6-5-8-14(15)10-17(16)18-13(3)12(2)11-19-18/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyJBVDIKHIZURKOJ-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.43
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole
CID 173085144
3-propyl-2-(2-propylphenyl)-1H-indene
CID 173084830
3-methyl-2-(3-propyl-1H-inden-2-yl)furan
CID 173084813
2-[2-(3,4-dimethylthiophen-2-yl)-9H-fluoren-3-yl]-3,4-dimethylthiophene
CID 21095227
3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173084970
2-(3-methyl-1H-inden-2-yl)-3-propylthiophene
CID 173084535
3-butyl-2-methyl-1H-indene
CID 15422807
3-ethyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173085149
2-(4-methylphenyl)-3-octyl-1H-indene
CID 21095685
3-methyl-2-(2-propylphenyl)-1H-indene
CID 173085124
1-(3-pentyl-1H-inden-2-yl)naphthalene
CID 173084421
3-butyl-2-propyl-1H-indene
CID 141343467

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene?
The IUPAC name of 3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene (CID 173084225) is 3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene.
What is the SMILES notation for 3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene?
The canonical SMILES for 3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene is CCCC1=C(c2scc(C)c2C)Cc2ccccc21.
What is the InChIKey of 3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene?
The InChIKey is JBVDIKHIZURKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20S/c1-4-7-16-15-9-6-5-8-14(15)10-17(16)18-13(3)12(2)11-19-18/h5-6,8-9,11H,4,7,10H2,1-3H3.
What are the key properties of 3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene?
3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene has a molecular weight of 268.43 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene is sourced from PubChem (CID 173084225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).