2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene

C19H24 — CID 21095459

IUPAC2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCCC1C(c2cccc(C)c2C)CC2C=CC=CC21
InChIInChI=1S/C19H24/c1-4-16-18-10-6-5-9-15(18)12-19(16)17-11-7-8-13(2)14(17)3/h5-11,15-16,18-19H,4,12H2,1-3H3
InChIKeyOYAISYFLERUFKM-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.18
Rot. Bonds2

About 2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene

2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 21095459) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID21095459
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCCC1C(c2cccc(C)c2C)CC2C=CC=CC21
InChIInChI=1S/C19H24/c1-4-16-18-10-6-5-9-15(18)12-19(16)17-11-7-8-13(2)14(17)3/h5-11,15-16,18-19H,4,12H2,1-3H3
InChIKeyOYAISYFLERUFKM-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene (CID 21095459) is 2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene is CCC1C(c2cccc(C)c2C)CC2C=CC=CC21.
What is the InChIKey of 2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is OYAISYFLERUFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-4-16-18-10-6-5-9-15(18)12-19(16)17-11-7-8-13(2)14(17)3/h5-11,15-16,18-19H,4,12H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene?
2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 252.40 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-1-ethyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 21095459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).