8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one

C15H10Cl2O2 — CID 143663627

IUPAC8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2c1cccc2-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2O2/c16-11-5-2-6-12(17)14(11)10-4-1-3-9-13(18)7-8-19-15(9)10/h1-6H,7-8H2
InChIKeyRRNVFNUMKPZRON-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.63
Rot. Bonds1

About 8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one

8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 143663627) has the molecular formula C15H10Cl2O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is 8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one
PubChem CID143663627
Molecular FormulaC15H10Cl2O2
Molecular Weight293.15 g/mol
Exact Mass292.01
IUPAC Name8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2c1cccc2-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2O2/c16-11-5-2-6-12(17)14(11)10-4-1-3-9-13(18)7-8-19-15(9)10/h1-6H,7-8H2
InChIKeyRRNVFNUMKPZRON-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one (CID 143663627) is 8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one is O=C1CCOc2c1cccc2-c1c(Cl)cccc1Cl.
What is the InChIKey of 8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is RRNVFNUMKPZRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O2/c16-11-5-2-6-12(17)14(11)10-4-1-3-9-13(18)7-8-19-15(9)10/h1-6H,7-8H2.
What are the key properties of 8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one?
8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 293.15 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichlorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 143663627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).