1-ethoxy-3-methyl-2,3-dihydro-1H-indene

C12H16O — CID 134981835

IUPAC1-ethoxy-3-methyl-2,3-dihydro-1H-indene
SMILESCCOC1CC(C)c2ccccc21
InChIInChI=1S/C12H16O/c1-3-13-12-8-9(2)10-6-4-5-7-11(10)12/h4-7,9,12H,3,8H2,1-2H3
InChIKeyXQKBVDCKLHTVKD-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.27
Rot. Bonds2

About 1-ethoxy-3-methyl-2,3-dihydro-1H-indene

1-ethoxy-3-methyl-2,3-dihydro-1H-indene (PubChem CID 134981835) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-ethoxy-3-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-ethoxy-3-methyl-2,3-dihydro-1H-indene
PubChem CID134981835
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-ethoxy-3-methyl-2,3-dihydro-1H-indene
SMILESCCOC1CC(C)c2ccccc21
InChIInChI=1S/C12H16O/c1-3-13-12-8-9(2)10-6-4-5-7-11(10)12/h4-7,9,12H,3,8H2,1-2H3
InChIKeyXQKBVDCKLHTVKD-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 1-ethoxy-3-methyl-2,3-dihydro-1H-indene (CID 134981835) is 1-ethoxy-3-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-ethoxy-3-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1-ethoxy-3-methyl-2,3-dihydro-1H-indene is CCOC1CC(C)c2ccccc21.
What is the InChIKey of 1-ethoxy-3-methyl-2,3-dihydro-1H-indene?
The InChIKey is XQKBVDCKLHTVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-13-12-8-9(2)10-6-4-5-7-11(10)12/h4-7,9,12H,3,8H2,1-2H3.
What are the key properties of 1-ethoxy-3-methyl-2,3-dihydro-1H-indene?
1-ethoxy-3-methyl-2,3-dihydro-1H-indene has a molecular weight of 176.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 134981835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).