3-chloro-1,1-dimethylindene

C11H11Cl — CID 154967780

IUPAC3-chloro-1,1-dimethylindene
SMILESCC1(C)C=C(Cl)c2ccccc21
InChIInChI=1S/C11H11Cl/c1-11(2)7-10(12)8-5-3-4-6-9(8)11/h3-7H,1-2H3
InChIKeyBUQRAROKFMIDQN-UHFFFAOYSA-N
MW178.66 g/mol
LogP3.56
Rot. Bonds

About 3-chloro-1,1-dimethylindene

3-chloro-1,1-dimethylindene (PubChem CID 154967780) has the molecular formula C11H11Cl and a molecular weight of 178.66 g/mol. Its IUPAC name is 3-chloro-1,1-dimethylindene.

Molecular Properties

Compound Name3-chloro-1,1-dimethylindene
PubChem CID154967780
Molecular FormulaC11H11Cl
Molecular Weight178.66 g/mol
Exact Mass178.05
IUPAC Name3-chloro-1,1-dimethylindene
SMILESCC1(C)C=C(Cl)c2ccccc21
InChIInChI=1S/C11H11Cl/c1-11(2)7-10(12)8-5-3-4-6-9(8)11/h3-7H,1-2H3
InChIKeyBUQRAROKFMIDQN-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-dimethylindene-1-carboxylic acid
CID 82075339
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3-[(E)-but-2-enyl]-1,1-dimethylindene
CID 174296931
3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene
CID 126718482
9-methyl-9-(2-methylphenyl)fluorene
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CID 171439038
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
ethane;9-fluoro-9-methylfluorene
CID 163249751
N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine
CID 176909430
1,1,4,4-tetramethylnaphthalen-2-ol
CID 172794366
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1-dimethylindene?
The IUPAC name of 3-chloro-1,1-dimethylindene (CID 154967780) is 3-chloro-1,1-dimethylindene.
What is the SMILES notation for 3-chloro-1,1-dimethylindene?
The canonical SMILES for 3-chloro-1,1-dimethylindene is CC1(C)C=C(Cl)c2ccccc21.
What is the InChIKey of 3-chloro-1,1-dimethylindene?
The InChIKey is BUQRAROKFMIDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl/c1-11(2)7-10(12)8-5-3-4-6-9(8)11/h3-7H,1-2H3.
What are the key properties of 3-chloro-1,1-dimethylindene?
3-chloro-1,1-dimethylindene has a molecular weight of 178.66 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1-dimethylindene is sourced from PubChem (CID 154967780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).