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

C10H9ClO2 — CID 67297085

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
SMILESCC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C10H9ClO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,10H,5H2,1H3
InChIKeyLQQWLMOUBHRQQD-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.23
Rot. Bonds1

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

1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone (PubChem CID 67297085) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
PubChem CID67297085
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
SMILESCC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C10H9ClO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,10H,5H2,1H3
InChIKeyLQQWLMOUBHRQQD-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone (CID 67297085) is 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone is CC(=O)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone?
The InChIKey is LQQWLMOUBHRQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,10H,5H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone?
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone has a molecular weight of 196.63 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 67297085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).