3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene

C17H16Cl2 — CID 145103808

IUPAC3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene
SMILESCCC1=CCC(C2=C(Cl)c3cccc(Cl)c3C2)C=C1
InChIInChI=1S/C17H16Cl2/c1-2-11-6-8-12(9-7-11)14-10-15-13(17(14)19)4-3-5-16(15)18/h3-8,12H,2,9-10H2,1H3
InChIKeyQURZILVUSRINDU-UHFFFAOYSA-N
MW291.22 g/mol
LogP5.76
Rot. Bonds2

About 3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene

3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene (PubChem CID 145103808) has the molecular formula C17H16Cl2 and a molecular weight of 291.22 g/mol. Its IUPAC name is 3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene.

Molecular Properties

Compound Name3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene
PubChem CID145103808
Molecular FormulaC17H16Cl2
Molecular Weight291.22 g/mol
Exact Mass290.06
IUPAC Name3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene
SMILESCCC1=CCC(C2=C(Cl)c3cccc(Cl)c3C2)C=C1
InChIInChI=1S/C17H16Cl2/c1-2-11-6-8-12(9-7-11)14-10-15-13(17(14)19)4-3-5-16(15)18/h3-8,12H,2,9-10H2,1H3
InChIKeyQURZILVUSRINDU-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.22
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene?
The IUPAC name of 3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene (CID 145103808) is 3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene.
What is the SMILES notation for 3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene?
The canonical SMILES for 3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene is CCC1=CCC(C2=C(Cl)c3cccc(Cl)c3C2)C=C1.
What is the InChIKey of 3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene?
The InChIKey is QURZILVUSRINDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2/c1-2-11-6-8-12(9-7-11)14-10-15-13(17(14)19)4-3-5-16(15)18/h3-8,12H,2,9-10H2,1H3.
What are the key properties of 3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene?
3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene has a molecular weight of 291.22 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-2-(4-ethylcyclohexa-2,4-dien-1-yl)-1H-indene is sourced from PubChem (CID 145103808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).