1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene

C20H16Cl2 — CID 175337980

IUPAC1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene
SMILESClC(Cl)(CC1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C20H16Cl2/c21-20(22,19-12-11-15-6-2-4-8-18(15)19)13-16-10-9-14-5-1-3-7-17(14)16/h1-12,16,19H,13H2
InChIKeyIPQDGLNNQBMDPN-UHFFFAOYSA-N
MW327.25 g/mol
LogP6.17
Rot. Bonds3

About 1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene

1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene (PubChem CID 175337980) has the molecular formula C20H16Cl2 and a molecular weight of 327.25 g/mol. Its IUPAC name is 1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene.

Molecular Properties

Compound Name1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene
PubChem CID175337980
Molecular FormulaC20H16Cl2
Molecular Weight327.25 g/mol
Exact Mass326.06
IUPAC Name1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene
SMILESClC(Cl)(CC1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C20H16Cl2/c21-20(22,19-12-11-15-6-2-4-8-18(15)19)13-16-10-9-14-5-1-3-7-17(14)16/h1-12,16,19H,13H2
InChIKeyIPQDGLNNQBMDPN-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.25
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
1H-inden-1-ylmethanamine;hydrochloride
CID 67915005
dichloro-[2-(1H-inden-1-yl)ethyl]silane
CID 137328288
2,2-bis(1H-inden-1-yl)propane-1,3-dithiol
CID 151956943
1H-inden-1-ylmethanol;zirconium(3+);trichloride
CID 160514692
1-(2-fluoropropan-2-yl)-1H-indene
CID 139709792
2-(1H-inden-1-yl)ethanol
CID 23288751
dichlorozirconium(2+);1-ethyl-1H-indene;1-propyl-1H-indene
CID 87674465
1H-inden-1-ylmethoxysilane
CID 137328287
1-[2-(1H-inden-1-yl)ethyl]-1H-indene;propane;zirconium
CID 162275229
[2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane
CID 19033347
1H-inden-1-ylmethanesulfinate
CID 68565996

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene?
The IUPAC name of 1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene (CID 175337980) is 1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene.
What is the SMILES notation for 1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene?
The canonical SMILES for 1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene is ClC(Cl)(CC1C=Cc2ccccc21)C1C=Cc2ccccc21.
What is the InChIKey of 1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene?
The InChIKey is IPQDGLNNQBMDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2/c21-20(22,19-12-11-15-6-2-4-8-18(15)19)13-16-10-9-14-5-1-3-7-17(14)16/h1-12,16,19H,13H2.
What are the key properties of 1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene?
1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene has a molecular weight of 327.25 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene is sourced from PubChem (CID 175337980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).