7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one

C13H15ClO — CID 22173208

IUPAC7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one
SMILESCC(C)CC1Cc2cccc(Cl)c2C1=O
InChIInChI=1S/C13H15ClO/c1-8(2)6-10-7-9-4-3-5-11(14)12(9)13(10)15/h3-5,8,10H,6-7H2,1-2H3
InChIKeyXDOSHEOKHBLZSQ-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.74
Rot. Bonds2

About 7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one

7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one (PubChem CID 22173208) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is 7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one
PubChem CID22173208
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one
SMILESCC(C)CC1Cc2cccc(Cl)c2C1=O
InChIInChI=1S/C13H15ClO/c1-8(2)6-10-7-9-4-3-5-11(14)12(9)13(10)15/h3-5,8,10H,6-7H2,1-2H3
InChIKeyXDOSHEOKHBLZSQ-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one?
The IUPAC name of 7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one (CID 22173208) is 7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one is CC(C)CC1Cc2cccc(Cl)c2C1=O.
What is the InChIKey of 7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one?
The InChIKey is XDOSHEOKHBLZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c1-8(2)6-10-7-9-4-3-5-11(14)12(9)13(10)15/h3-5,8,10H,6-7H2,1-2H3.
What are the key properties of 7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one?
7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one has a molecular weight of 222.72 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-methylpropyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 22173208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).