2-(3-methyl-1H-inden-2-yl)-3-propylthiophene

C17H18S — CID 173084535

IUPAC2-(3-methyl-1H-inden-2-yl)-3-propylthiophene
SMILESCCCc1ccsc1C1=C(C)c2ccccc2C1
InChIInChI=1S/C17H18S/c1-3-6-13-9-10-18-17(13)16-11-14-7-4-5-8-15(14)12(16)2/h4-5,7-10H,3,6,11H2,1-2H3
InChIKeyKIJXFGQHDWFESA-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.19
Rot. Bonds3

About 2-(3-methyl-1H-inden-2-yl)-3-propylthiophene

2-(3-methyl-1H-inden-2-yl)-3-propylthiophene (PubChem CID 173084535) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(3-methyl-1H-inden-2-yl)-3-propylthiophene.

Molecular Properties

Compound Name2-(3-methyl-1H-inden-2-yl)-3-propylthiophene
PubChem CID173084535
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name2-(3-methyl-1H-inden-2-yl)-3-propylthiophene
SMILESCCCc1ccsc1C1=C(C)c2ccccc2C1
InChIInChI=1S/C17H18S/c1-3-6-13-9-10-18-17(13)16-11-14-7-4-5-8-15(14)12(16)2/h4-5,7-10H,3,6,11H2,1-2H3
InChIKeyKIJXFGQHDWFESA-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-(2-propylphenyl)-1H-indene
CID 173085124
3-propyl-2-(2-propylphenyl)-1H-indene
CID 173084830
3-ethyl-2-(3-methyl-1H-inden-2-yl)-1H-phosphole
CID 173084987
3,4-dimethyl-2-(3-propyl-1H-inden-2-yl)thiophene
CID 173084225
3-propyl-2-thiophen-2-ylthiophene
CID 69104145
3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene
CID 141412615
2-ethynyl-3-propylthiophene
CID 139951479
3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole
CID 173085144
3-methyl-2-(3-propyl-1H-inden-2-yl)furan
CID 173084813
2,3-dimethyl-1H-indene;ethane
CID 54108652
bis(9H-fluorene);pentane
CID 159146463
3-hexadecyl-2-phenylthiophene
CID 101022658

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1H-inden-2-yl)-3-propylthiophene?
The IUPAC name of 2-(3-methyl-1H-inden-2-yl)-3-propylthiophene (CID 173084535) is 2-(3-methyl-1H-inden-2-yl)-3-propylthiophene.
What is the SMILES notation for 2-(3-methyl-1H-inden-2-yl)-3-propylthiophene?
The canonical SMILES for 2-(3-methyl-1H-inden-2-yl)-3-propylthiophene is CCCc1ccsc1C1=C(C)c2ccccc2C1.
What is the InChIKey of 2-(3-methyl-1H-inden-2-yl)-3-propylthiophene?
The InChIKey is KIJXFGQHDWFESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S/c1-3-6-13-9-10-18-17(13)16-11-14-7-4-5-8-15(14)12(16)2/h4-5,7-10H,3,6,11H2,1-2H3.
What are the key properties of 2-(3-methyl-1H-inden-2-yl)-3-propylthiophene?
2-(3-methyl-1H-inden-2-yl)-3-propylthiophene has a molecular weight of 254.40 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1H-inden-2-yl)-3-propylthiophene is sourced from PubChem (CID 173084535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).