3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene

C12H12Cl2 — CID 143002894

IUPAC3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene
SMILESC=CCC1CC(Cl)c2cc(Cl)ccc21
InChIInChI=1S/C12H12Cl2/c1-2-3-8-6-12(14)11-7-9(13)4-5-10(8)11/h2,4-5,7-8,12H,1,3,6H2
InChIKeyYIEPWLOXABIJDH-UHFFFAOYSA-N
MW227.13 g/mol
LogP4.68
Rot. Bonds2

About 3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene

3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene (PubChem CID 143002894) has the molecular formula C12H12Cl2 and a molecular weight of 227.13 g/mol. Its IUPAC name is 3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene
PubChem CID143002894
Molecular FormulaC12H12Cl2
Molecular Weight227.13 g/mol
Exact Mass226.03
IUPAC Name3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene
SMILESC=CCC1CC(Cl)c2cc(Cl)ccc21
InChIInChI=1S/C12H12Cl2/c1-2-3-8-6-12(14)11-7-9(13)4-5-10(8)11/h2,4-5,7-8,12H,1,3,6H2
InChIKeyYIEPWLOXABIJDH-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene?
The IUPAC name of 3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene (CID 143002894) is 3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene?
The canonical SMILES for 3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene is C=CCC1CC(Cl)c2cc(Cl)ccc21.
What is the InChIKey of 3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene?
The InChIKey is YIEPWLOXABIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2/c1-2-3-8-6-12(14)11-7-9(13)4-5-10(8)11/h2,4-5,7-8,12H,1,3,6H2.
What are the key properties of 3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene?
3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene has a molecular weight of 227.13 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-prop-2-enyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 143002894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).