4-ethyl-3-methyl-1H-indene

C12H14 — CID 123532041

IUPAC4-ethyl-3-methyl-1H-indene
SMILESCCc1cccc2c1C(C)=CC2
InChIInChI=1S/C12H14/c1-3-10-5-4-6-11-8-7-9(2)12(10)11/h4-7H,3,8H2,1-2H3
InChIKeyGQVKQQKGRWNRIJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.21
Rot. Bonds1

About 4-ethyl-3-methyl-1H-indene

4-ethyl-3-methyl-1H-indene (PubChem CID 123532041) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-ethyl-3-methyl-1H-indene.

Molecular Properties

Compound Name4-ethyl-3-methyl-1H-indene
PubChem CID123532041
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name4-ethyl-3-methyl-1H-indene
SMILESCCc1cccc2c1C(C)=CC2
InChIInChI=1S/C12H14/c1-3-10-5-4-6-11-8-7-9(2)12(10)11/h4-7H,3,8H2,1-2H3
InChIKeyGQVKQQKGRWNRIJ-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethane;4,5,9,10-tetrahydropyrene
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-1H-indene?
The IUPAC name of 4-ethyl-3-methyl-1H-indene (CID 123532041) is 4-ethyl-3-methyl-1H-indene.
What is the SMILES notation for 4-ethyl-3-methyl-1H-indene?
The canonical SMILES for 4-ethyl-3-methyl-1H-indene is CCc1cccc2c1C(C)=CC2.
What is the InChIKey of 4-ethyl-3-methyl-1H-indene?
The InChIKey is GQVKQQKGRWNRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-3-10-5-4-6-11-8-7-9(2)12(10)11/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-1H-indene?
4-ethyl-3-methyl-1H-indene has a molecular weight of 158.24 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-1H-indene is sourced from PubChem (CID 123532041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).