1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone

C17H14Cl2O2 — CID 115798791

IUPAC1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
SMILESO=C(CC1CCOc2ccccc21)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2O2/c18-13-5-3-6-14(19)17(13)15(20)10-11-8-9-21-16-7-2-1-4-12(11)16/h1-7,11H,8-10H2
InChIKeyFNVZIOIFWGXYLL-UHFFFAOYSA-N
MW321.20 g/mol
LogP5.13
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone

1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone (PubChem CID 115798791) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
PubChem CID115798791
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Name1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
SMILESO=C(CC1CCOc2ccccc21)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2O2/c18-13-5-3-6-14(19)17(13)15(20)10-11-8-9-21-16-7-2-1-4-12(11)16/h1-7,11H,8-10H2
InChIKeyFNVZIOIFWGXYLL-UHFFFAOYSA-N
XLogP5.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.20
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769739
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,4-dimethylphenyl)ethanone
CID 115798919
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylfuran-2-yl)ethanone
CID 115798762
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
CID 104769789
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone (CID 115798791) is 1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone is O=C(CC1CCOc2ccccc21)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The InChIKey is FNVZIOIFWGXYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O2/c18-13-5-3-6-14(19)17(13)15(20)10-11-8-9-21-16-7-2-1-4-12(11)16/h1-7,11H,8-10H2.
What are the key properties of 1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone?
1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone has a molecular weight of 321.20 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone is sourced from PubChem (CID 115798791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).