4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene

C23H22Cl2 — CID 67039433

IUPAC4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene
SMILESCC1=Cc2c(Cl)cccc2C1C(C)(C)C1C(C)=Cc2c(Cl)cccc21
InChIInChI=1S/C23H22Cl2/c1-13-11-17-15(7-5-9-19(17)24)21(13)23(3,4)22-14(2)12-18-16(22)8-6-10-20(18)25/h5-12,21-22H,1-4H3
InChIKeyYLRDVVCQBNBVHN-UHFFFAOYSA-N
MW369.34 g/mol
LogP7.72
Rot. Bonds2

About 4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene

4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene (PubChem CID 67039433) has the molecular formula C23H22Cl2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene.

Molecular Properties

Compound Name4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene
PubChem CID67039433
Molecular FormulaC23H22Cl2
Molecular Weight369.34 g/mol
Exact Mass368.11
IUPAC Name4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene
SMILESCC1=Cc2c(Cl)cccc2C1C(C)(C)C1C(C)=Cc2c(Cl)cccc21
InChIInChI=1S/C23H22Cl2/c1-13-11-17-15(7-5-9-19(17)24)21(13)23(3,4)22-14(2)12-18-16(22)8-6-10-20(18)25/h5-12,21-22H,1-4H3
InChIKeyYLRDVVCQBNBVHN-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.34
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene?
The IUPAC name of 4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene (CID 67039433) is 4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene.
What is the SMILES notation for 4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene?
The canonical SMILES for 4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene is CC1=Cc2c(Cl)cccc2C1C(C)(C)C1C(C)=Cc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene?
The InChIKey is YLRDVVCQBNBVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2/c1-13-11-17-15(7-5-9-19(17)24)21(13)23(3,4)22-14(2)12-18-16(22)8-6-10-20(18)25/h5-12,21-22H,1-4H3.
What are the key properties of 4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene?
4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene has a molecular weight of 369.34 g/mol, XLogP of 7.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(4-chloro-2-methyl-1H-inden-1-yl)propan-2-yl]-2-methyl-1H-indene is sourced from PubChem (CID 67039433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).