4-ethyl-1-methyl-2,3-dihydro-1H-indene

C12H16 — CID 178109031

IUPAC4-ethyl-1-methyl-2,3-dihydro-1H-indene
SMILESCCc1cccc2c1CCC2C
InChIInChI=1S/C12H16/c1-3-10-5-4-6-11-9(2)7-8-12(10)11/h4-6,9H,3,7-8H2,1-2H3
InChIKeyCRLKJHRPNKTECX-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.30
Rot. Bonds1

About 4-ethyl-1-methyl-2,3-dihydro-1H-indene

4-ethyl-1-methyl-2,3-dihydro-1H-indene (PubChem CID 178109031) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-ethyl-1-methyl-2,3-dihydro-1H-indene
PubChem CID178109031
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name4-ethyl-1-methyl-2,3-dihydro-1H-indene
SMILESCCc1cccc2c1CCC2C
InChIInChI=1S/C12H16/c1-3-10-5-4-6-11-9(2)7-8-12(10)11/h4-6,9H,3,7-8H2,1-2H3
InChIKeyCRLKJHRPNKTECX-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 4-ethyl-1-methyl-2,3-dihydro-1H-indene (CID 178109031) is 4-ethyl-1-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-ethyl-1-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 4-ethyl-1-methyl-2,3-dihydro-1H-indene is CCc1cccc2c1CCC2C.
What is the InChIKey of 4-ethyl-1-methyl-2,3-dihydro-1H-indene?
The InChIKey is CRLKJHRPNKTECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-3-10-5-4-6-11-9(2)7-8-12(10)11/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-2,3-dihydro-1H-indene?
4-ethyl-1-methyl-2,3-dihydro-1H-indene has a molecular weight of 160.26 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 178109031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).