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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Related Compounds

8-chloro-2,3-dihydrochromen-4-one;8-chloro-6-iodo-2,3-dihydrochromen-4-one
CID 161160908
8-ethenyl-2,3-dihydrochromen-4-one
CID 55297621
8-(trifluoromethoxy)-2,3-dihydrochromen-4-one
CID 22708350
7-(3-chloro-2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 169422658
methyl 4-oxo-2,3-dihydrochromene-8-carboxylate
CID 122362508
9-bromo-3,4-dihydro-2H-1-benzoxepin-5-one
CID 43153232
2-[(4-oxo-2,3-dihydrochromen-8-yl)oxy]acetic acid
CID 18471063
8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride
CID 127263941
7-amino-8-methyl-2,3-dihydrochromen-4-one
CID 55297743
6-chloro-8-nitro-2,3-dihydrochromen-4-one
CID 130038992
(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 25010624
5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 143319884

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).