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

C10H8Cl2O2 — CID 12806958

IUPAC6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(c(Cl)c1Cl)C(=O)CC2
InChIInChI=1S/C10H8Cl2O2/c1-14-7-4-5-2-3-6(13)8(5)10(12)9(7)11/h4H,2-3H2,1H3
InChIKeyMBQBWQHLQMLWNC-UHFFFAOYSA-N
MW231.08 g/mol
LogP3.13
Rot. Bonds1

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

6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one (PubChem CID 12806958) has the molecular formula C10H8Cl2O2 and a molecular weight of 231.08 g/mol. Its IUPAC name is 6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one
PubChem CID12806958
Molecular FormulaC10H8Cl2O2
Molecular Weight231.08 g/mol
Exact Mass229.99
IUPAC Name6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(c(Cl)c1Cl)C(=O)CC2
InChIInChI=1S/C10H8Cl2O2/c1-14-7-4-5-2-3-6(13)8(5)10(12)9(7)11/h4H,2-3H2,1H3
InChIKeyMBQBWQHLQMLWNC-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,7-dichloro-5-methoxy-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 6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one (CID 12806958) is 6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one is COc1cc2c(c(Cl)c1Cl)C(=O)CC2.
What is the InChIKey of 6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one?
The InChIKey is MBQBWQHLQMLWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O2/c1-14-7-4-5-2-3-6(13)8(5)10(12)9(7)11/h4H,2-3H2,1H3.
What are the key properties of 6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one?
6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one has a molecular weight of 231.08 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 12806958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).