1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone

C10H9ClO3 — CID 83885873

IUPAC1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESCC(=O)c1cc2c(c(Cl)c1O)OCC2
InChIInChI=1S/C10H9ClO3/c1-5(12)7-4-6-2-3-14-10(6)8(11)9(7)13/h4,13H,2-3H2,1H3
InChIKeyGLPOZRHPXITMMC-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.18
Rot. Bonds1

About 1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone

1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone (PubChem CID 83885873) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone
PubChem CID83885873
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESCC(=O)c1cc2c(c(Cl)c1O)OCC2
InChIInChI=1S/C10H9ClO3/c1-5(12)7-4-6-2-3-14-10(6)8(11)9(7)13/h4,13H,2-3H2,1H3
InChIKeyGLPOZRHPXITMMC-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83886439
1-(6-chloro-3,4-dihydro-2H-chromen-8-yl)ethanone
CID 10560433
1-(4-chloro-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethanone
CID 84700903
5-(1-aminopropan-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-6-ol
CID 83893029
1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone
CID 12529749
1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanone
CID 82241376
1-(2-amino-5,6,8,9-tetrahydrooxepino[4,5-b]pyridin-3-yl)ethanone
CID 105458713
2-[6-hydroxy-7-(2,4,6-trichlorobenzoyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid
CID 21268667
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone
CID 84786410
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone
CID 104544697
2-amino-1-(5-chloro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
CID 84704016

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone (CID 83885873) is 1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone is CC(=O)c1cc2c(c(Cl)c1O)OCC2.
What is the InChIKey of 1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone?
The InChIKey is GLPOZRHPXITMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-5(12)7-4-6-2-3-14-10(6)8(11)9(7)13/h4,13H,2-3H2,1H3.
What are the key properties of 1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone?
1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone has a molecular weight of 212.63 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 83885873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).