7-chloro-3,3-dimethyl-2H-inden-1-one

C11H11ClO — CID 131111050

IUPAC7-chloro-3,3-dimethyl-2H-inden-1-one
SMILESCC1(C)CC(=O)c2c(Cl)cccc21
InChIInChI=1S/C11H11ClO/c1-11(2)6-9(13)10-7(11)4-3-5-8(10)12/h3-5H,6H2,1-2H3
InChIKeyQMMXIHLGUQOEAE-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.20
Rot. Bonds

About 7-chloro-3,3-dimethyl-2H-inden-1-one

7-chloro-3,3-dimethyl-2H-inden-1-one (PubChem CID 131111050) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 7-chloro-3,3-dimethyl-2H-inden-1-one.

Molecular Properties

Compound Name7-chloro-3,3-dimethyl-2H-inden-1-one
PubChem CID131111050
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name7-chloro-3,3-dimethyl-2H-inden-1-one
SMILESCC1(C)CC(=O)c2c(Cl)cccc21
InChIInChI=1S/C11H11ClO/c1-11(2)6-9(13)10-7(11)4-3-5-8(10)12/h3-5H,6H2,1-2H3
InChIKeyQMMXIHLGUQOEAE-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,3-dimethyl-2H-inden-1-one?
The IUPAC name of 7-chloro-3,3-dimethyl-2H-inden-1-one (CID 131111050) is 7-chloro-3,3-dimethyl-2H-inden-1-one.
What is the SMILES notation for 7-chloro-3,3-dimethyl-2H-inden-1-one?
The canonical SMILES for 7-chloro-3,3-dimethyl-2H-inden-1-one is CC1(C)CC(=O)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-3,3-dimethyl-2H-inden-1-one?
The InChIKey is QMMXIHLGUQOEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c1-11(2)6-9(13)10-7(11)4-3-5-8(10)12/h3-5H,6H2,1-2H3.
What are the key properties of 7-chloro-3,3-dimethyl-2H-inden-1-one?
7-chloro-3,3-dimethyl-2H-inden-1-one has a molecular weight of 194.66 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,3-dimethyl-2H-inden-1-one is sourced from PubChem (CID 131111050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).