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

C9H7ClO — CID 11332681

IUPAC4-chloro-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(Cl)cccc21
InChIInChI=1S/C9H7ClO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChIKeyMYCZDIIPHIGLCH-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.47
Rot. Bonds

About 4-chloro-2,3-dihydroinden-1-one

4-chloro-2,3-dihydroinden-1-one (PubChem CID 11332681) has the molecular formula C9H7ClO and a molecular weight of 166.61 g/mol. Its IUPAC name is 4-chloro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-chloro-2,3-dihydroinden-1-one
PubChem CID11332681
Molecular FormulaC9H7ClO
Molecular Weight166.61 g/mol
Exact Mass166.02
IUPAC Name4-chloro-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(Cl)cccc21
InChIInChI=1S/C9H7ClO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChIKeyMYCZDIIPHIGLCH-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dihydroinden-1-one?
The IUPAC name of 4-chloro-2,3-dihydroinden-1-one (CID 11332681) is 4-chloro-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-chloro-2,3-dihydroinden-1-one?
The canonical SMILES for 4-chloro-2,3-dihydroinden-1-one is O=C1CCc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-2,3-dihydroinden-1-one?
The InChIKey is MYCZDIIPHIGLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2.
What are the key properties of 4-chloro-2,3-dihydroinden-1-one?
4-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 4-chloro-2,3-dihydroinden-1-one is sourced from PubChem (CID 11332681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).