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

C11H11ClO — CID 20523639

IUPAC6-chloro-2,2-dimethyl-3H-inden-1-one
SMILESCC1(C)Cc2ccc(Cl)cc2C1=O
InChIInChI=1S/C11H11ClO/c1-11(2)6-7-3-4-8(12)5-9(7)10(11)13/h3-5H,6H2,1-2H3
InChIKeyXFZYJZIKQGZVES-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.11
Rot. Bonds

About 6-chloro-2,2-dimethyl-3H-inden-1-one

6-chloro-2,2-dimethyl-3H-inden-1-one (PubChem CID 20523639) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-3H-inden-1-one.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-3H-inden-1-one
PubChem CID20523639
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name6-chloro-2,2-dimethyl-3H-inden-1-one
SMILESCC1(C)Cc2ccc(Cl)cc2C1=O
InChIInChI=1S/C11H11ClO/c1-11(2)6-7-3-4-8(12)5-9(7)10(11)13/h3-5H,6H2,1-2H3
InChIKeyXFZYJZIKQGZVES-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-3H-inden-1-one?
The IUPAC name of 6-chloro-2,2-dimethyl-3H-inden-1-one (CID 20523639) is 6-chloro-2,2-dimethyl-3H-inden-1-one.
What is the SMILES notation for 6-chloro-2,2-dimethyl-3H-inden-1-one?
The canonical SMILES for 6-chloro-2,2-dimethyl-3H-inden-1-one is CC1(C)Cc2ccc(Cl)cc2C1=O.
What is the InChIKey of 6-chloro-2,2-dimethyl-3H-inden-1-one?
The InChIKey is XFZYJZIKQGZVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c1-11(2)6-7-3-4-8(12)5-9(7)10(11)13/h3-5H,6H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethyl-3H-inden-1-one?
6-chloro-2,2-dimethyl-3H-inden-1-one has a molecular weight of 194.66 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-3H-inden-1-one is sourced from PubChem (CID 20523639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).