7-chloro-2,3-dihydroinden-1-one

C9H7ClO — CID 11217449

IUPAC7-chloro-2,3-dihydroinden-1-one
SMILESO=C1CCc2cccc(Cl)c21
InChIInChI=1S/C9H7ClO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2
InChIKeyYNFZQNGHYQYLCF-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.47
Rot. Bonds

About 7-chloro-2,3-dihydroinden-1-one

7-chloro-2,3-dihydroinden-1-one (PubChem CID 11217449) has the molecular formula C9H7ClO and a molecular weight of 166.61 g/mol. Its IUPAC name is 7-chloro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-chloro-2,3-dihydroinden-1-one
PubChem CID11217449
Molecular FormulaC9H7ClO
Molecular Weight166.61 g/mol
Exact Mass166.02
IUPAC Name7-chloro-2,3-dihydroinden-1-one
SMILESO=C1CCc2cccc(Cl)c21
InChIInChI=1S/C9H7ClO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2
InChIKeyYNFZQNGHYQYLCF-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-chloro-2,3-dihydroinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydroinden-1-one?
The IUPAC name of 7-chloro-2,3-dihydroinden-1-one (CID 11217449) is 7-chloro-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-chloro-2,3-dihydroinden-1-one?
The canonical SMILES for 7-chloro-2,3-dihydroinden-1-one is O=C1CCc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2,3-dihydroinden-1-one?
The InChIKey is YNFZQNGHYQYLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2.
What are the key properties of 7-chloro-2,3-dihydroinden-1-one?
7-chloro-2,3-dihydroinden-1-one has a molecular weight of 166.61 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydroinden-1-one is sourced from PubChem (CID 11217449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).