2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene

C20H24Cl2 — CID 140968404

IUPAC2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene
SMILESCC(C1C(Cl)=CC2=C1CCCC2)C1C(Cl)=CC2=C1CCCC2
InChIInChI=1S/C20H24Cl2/c1-12(19-15-8-4-2-6-13(15)10-17(19)21)20-16-9-5-3-7-14(16)11-18(20)22/h10-12,19-20H,2-9H2,1H3
InChIKeyLYNBQXUCAVAUMU-UHFFFAOYSA-N
MW335.32 g/mol
LogP6.87
Rot. Bonds2

About 2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene

2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene (PubChem CID 140968404) has the molecular formula C20H24Cl2 and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene
PubChem CID140968404
Molecular FormulaC20H24Cl2
Molecular Weight335.32 g/mol
Exact Mass334.13
IUPAC Name2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene
SMILESCC(C1C(Cl)=CC2=C1CCCC2)C1C(Cl)=CC2=C1CCCC2
InChIInChI=1S/C20H24Cl2/c1-12(19-15-8-4-2-6-13(15)10-17(19)21)20-16-9-5-3-7-14(16)11-18(20)22/h10-12,19-20H,2-9H2,1H3
InChIKeyLYNBQXUCAVAUMU-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.32
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene with MolForge

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Related Compounds

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2-propan-2-ylcycloheptadecane-1,3-dione
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7,8-dimethylbicyclo[4.2.0]oct-1(6)-ene
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1-chloro-4,5,6,7-tetrahydro-1H-indene;ethanol;titanium
CID 88524321
10-ethenyl-1,2,3,4,4a,5,6,7,8,10a-decahydrophenanthrene
CID 59819079
methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium
CID 175591795
2-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;zirconium
CID 175289139
1-(2-chloro-5-methyl-1H-inden-1-yl)ethanol
CID 143919585
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene
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CID 173318191
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of 2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene (CID 140968404) is 2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for 2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for 2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene is CC(C1C(Cl)=CC2=C1CCCC2)C1C(Cl)=CC2=C1CCCC2.
What is the InChIKey of 2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene?
The InChIKey is LYNBQXUCAVAUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2/c1-12(19-15-8-4-2-6-13(15)10-17(19)21)20-16-9-5-3-7-14(16)11-18(20)22/h10-12,19-20H,2-9H2,1H3.
What are the key properties of 2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene?
2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene has a molecular weight of 335.32 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[1-(2-chloro-4,5,6,7-tetrahydro-1H-inden-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 140968404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).