1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone

C11H11ClO2 — CID 10560433

IUPAC1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone
SMILESCC(=O)c1cc(Cl)cc2c1OCCC2
InChIInChI=1S/C11H11ClO2/c1-7(13)10-6-9(12)5-8-3-2-4-14-11(8)10/h5-6H,2-4H2,1H3
InChIKeyKHHGSORYZYGHHQ-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.87
Rot. Bonds1

About 1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone

1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone (PubChem CID 10560433) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone
PubChem CID10560433
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone
SMILESCC(=O)c1cc(Cl)cc2c1OCCC2
InChIInChI=1S/C11H11ClO2/c1-7(13)10-6-9(12)5-8-3-2-4-14-11(8)10/h5-6H,2-4H2,1H3
InChIKeyKHHGSORYZYGHHQ-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanone
CID 82241376
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 158603842
1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83885873
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone
CID 113425372
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone
CID 104544697
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)ethanone
CID 58294043
4-chloro-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)butan-1-one
CID 105400931
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone
CID 104544537
(5-amino-2,4-dimethylphenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 102707076
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylphenyl)ethanone
CID 104544807

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone?
The IUPAC name of 1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone (CID 10560433) is 1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone?
The canonical SMILES for 1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone is CC(=O)c1cc(Cl)cc2c1OCCC2.
What is the InChIKey of 1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone?
The InChIKey is KHHGSORYZYGHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-7(13)10-6-9(12)5-8-3-2-4-14-11(8)10/h5-6H,2-4H2,1H3.
What are the key properties of 1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone?
1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone has a molecular weight of 210.66 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone is sourced from PubChem (CID 10560433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).