4,5,6,7-tetrachloro-3-hydroxyinden-1-one

C9H2Cl4O2 — CID 25273156

IUPAC4,5,6,7-tetrachloro-3-hydroxyinden-1-one
SMILESO=C1C=C(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIInChI=1S/C9H2Cl4O2/c10-6-4-2(14)1-3(15)5(4)7(11)9(13)8(6)12/h1,14H
InChIKeyOWOLRAMBEHIMPX-UHFFFAOYSA-N
MW283.93 g/mol
LogP4.40
Rot. Bonds

About 4,5,6,7-tetrachloro-3-hydroxyinden-1-one

4,5,6,7-tetrachloro-3-hydroxyinden-1-one (PubChem CID 25273156) has the molecular formula C9H2Cl4O2 and a molecular weight of 283.93 g/mol. Its IUPAC name is 4,5,6,7-tetrachloro-3-hydroxyinden-1-one.

Molecular Properties

Compound Name4,5,6,7-tetrachloro-3-hydroxyinden-1-one
PubChem CID25273156
Molecular FormulaC9H2Cl4O2
Molecular Weight283.93 g/mol
Exact Mass281.88
IUPAC Name4,5,6,7-tetrachloro-3-hydroxyinden-1-one
SMILESO=C1C=C(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIInChI=1S/C9H2Cl4O2/c10-6-4-2(14)1-3(15)5(4)7(11)9(13)8(6)12/h1,14H
InChIKeyOWOLRAMBEHIMPX-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.93
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrachloro-3-hydroxyinden-1-one?
The IUPAC name of 4,5,6,7-tetrachloro-3-hydroxyinden-1-one (CID 25273156) is 4,5,6,7-tetrachloro-3-hydroxyinden-1-one.
What is the SMILES notation for 4,5,6,7-tetrachloro-3-hydroxyinden-1-one?
The canonical SMILES for 4,5,6,7-tetrachloro-3-hydroxyinden-1-one is O=C1C=C(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21.
What is the InChIKey of 4,5,6,7-tetrachloro-3-hydroxyinden-1-one?
The InChIKey is OWOLRAMBEHIMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2Cl4O2/c10-6-4-2(14)1-3(15)5(4)7(11)9(13)8(6)12/h1,14H.
What are the key properties of 4,5,6,7-tetrachloro-3-hydroxyinden-1-one?
4,5,6,7-tetrachloro-3-hydroxyinden-1-one has a molecular weight of 283.93 g/mol, XLogP of 4.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrachloro-3-hydroxyinden-1-one is sourced from PubChem (CID 25273156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).