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

C17H18S — CID 90990047

IUPAC3,4-diethyl-2-(1H-inden-1-yl)thiophene
SMILESCCc1csc(C2C=Cc3ccccc32)c1CC
InChIInChI=1S/C17H18S/c1-3-12-11-18-17(14(12)4-2)16-10-9-13-7-5-6-8-15(13)16/h5-11,16H,3-4H2,1-2H3
InChIKeyLUQLCFIBLZVXLB-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.03
Rot. Bonds3

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

3,4-diethyl-2-(1H-inden-1-yl)thiophene (PubChem CID 90990047) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is 3,4-diethyl-2-(1H-inden-1-yl)thiophene.

Molecular Properties

Compound Name3,4-diethyl-2-(1H-inden-1-yl)thiophene
PubChem CID90990047
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name3,4-diethyl-2-(1H-inden-1-yl)thiophene
SMILESCCc1csc(C2C=Cc3ccccc32)c1CC
InChIInChI=1S/C17H18S/c1-3-12-11-18-17(14(12)4-2)16-10-9-13-7-5-6-8-15(13)16/h5-11,16H,3-4H2,1-2H3
InChIKeyLUQLCFIBLZVXLB-UHFFFAOYSA-N
XLogP5.03
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 ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethylphenyl)-1H-indene
CID 87675189
(1S)-1-phenyl-1H-indene
CID 86309914
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
2-ethyl-3-(1H-inden-1-yl)cyclopenta[b]pyrrole
CID 159054874
1-(1H-inden-1-yl)-2-propylnaphthalene
CID 21095753
1-(4-butylphenyl)-1H-indene
CID 159304523
1-[3-(1H-inden-1-yl)phenyl]-1H-indene
CID 15872860
CID 173308465
CID 173308465
1-(2-methoxyphenyl)-1H-indene
CID 15345370
1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one
CID 139946423
1-(2,3,4-trifluorophenyl)-1H-indene
CID 21095845
1-(2,3,4-trimethylphenyl)-1H-indene
CID 21095865

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2-(1H-inden-1-yl)thiophene?
The IUPAC name of 3,4-diethyl-2-(1H-inden-1-yl)thiophene (CID 90990047) is 3,4-diethyl-2-(1H-inden-1-yl)thiophene.
What is the SMILES notation for 3,4-diethyl-2-(1H-inden-1-yl)thiophene?
The canonical SMILES for 3,4-diethyl-2-(1H-inden-1-yl)thiophene is CCc1csc(C2C=Cc3ccccc32)c1CC.
What is the InChIKey of 3,4-diethyl-2-(1H-inden-1-yl)thiophene?
The InChIKey is LUQLCFIBLZVXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S/c1-3-12-11-18-17(14(12)4-2)16-10-9-13-7-5-6-8-15(13)16/h5-11,16H,3-4H2,1-2H3.
What are the key properties of 3,4-diethyl-2-(1H-inden-1-yl)thiophene?
3,4-diethyl-2-(1H-inden-1-yl)thiophene has a molecular weight of 254.40 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2-(1H-inden-1-yl)thiophene is sourced from PubChem (CID 90990047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).