5,7-dichloro-2,3-dihydrochromen-4-one

C9H6Cl2O2 — CID 12664409

IUPAC5,7-dichloro-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C9H6Cl2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4H,1-2H2
InChIKeyLTWDKHFUIPDBEU-UHFFFAOYSA-N
MW217.05 g/mol
LogP2.96
Rot. Bonds

About 5,7-dichloro-2,3-dihydrochromen-4-one

5,7-dichloro-2,3-dihydrochromen-4-one (PubChem CID 12664409) has the molecular formula C9H6Cl2O2 and a molecular weight of 217.05 g/mol. Its IUPAC name is 5,7-dichloro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-dichloro-2,3-dihydrochromen-4-one
PubChem CID12664409
Molecular FormulaC9H6Cl2O2
Molecular Weight217.05 g/mol
Exact Mass215.97
IUPAC Name5,7-dichloro-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C9H6Cl2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4H,1-2H2
InChIKeyLTWDKHFUIPDBEU-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.05
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,7-dichloro-2,3-dihydrochromen-4-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 5,7-dichloro-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-dichloro-2,3-dihydrochromen-4-one (CID 12664409) is 5,7-dichloro-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-dichloro-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-dichloro-2,3-dihydrochromen-4-one is O=C1CCOc2cc(Cl)cc(Cl)c21.
What is the InChIKey of 5,7-dichloro-2,3-dihydrochromen-4-one?
The InChIKey is LTWDKHFUIPDBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4H,1-2H2.
What are the key properties of 5,7-dichloro-2,3-dihydrochromen-4-one?
5,7-dichloro-2,3-dihydrochromen-4-one has a molecular weight of 217.05 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12664409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).