6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one

C9H6Cl2O2 — CID 154230335

IUPAC6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(O)c(Cl)c(Cl)c21
InChIInChI=1S/C9H6Cl2O2/c10-8-6(13)3-4-1-2-5(12)7(4)9(8)11/h3,13H,1-2H2
InChIKeyCDDBSQJPMCLULX-UHFFFAOYSA-N
MW217.05 g/mol
LogP2.83
Rot. Bonds

About 6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one

6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one (PubChem CID 154230335) has the molecular formula C9H6Cl2O2 and a molecular weight of 217.05 g/mol. Its IUPAC name is 6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one
PubChem CID154230335
Molecular FormulaC9H6Cl2O2
Molecular Weight217.05 g/mol
Exact Mass215.97
IUPAC Name6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(O)c(Cl)c(Cl)c21
InChIInChI=1S/C9H6Cl2O2/c10-8-6(13)3-4-1-2-5(12)7(4)9(8)11/h3,13H,1-2H2
InChIKeyCDDBSQJPMCLULX-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.05
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one?
The IUPAC name of 6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one (CID 154230335) is 6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one?
The canonical SMILES for 6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one is O=C1CCc2cc(O)c(Cl)c(Cl)c21.
What is the InChIKey of 6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one?
The InChIKey is CDDBSQJPMCLULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O2/c10-8-6(13)3-4-1-2-5(12)7(4)9(8)11/h3,13H,1-2H2.
What are the key properties of 6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one?
6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one has a molecular weight of 217.05 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 154230335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).