2-(5-chloro-1-benzofuran-3-yl)acetate

C10H6ClO3- — CID 9158984

IUPAC2-(5-chloro-1-benzofuran-3-yl)acetate
SMILESO=C([O-])Cc1coc2ccc(Cl)cc12
InChIInChI=1S/C10H7ClO3/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)/p-1
InChIKeyJTRPWQDAQRNRGJ-UHFFFAOYSA-M
MW209.61 g/mol
LogP1.38
Rot. Bonds2

About 2-(5-chloro-1-benzofuran-3-yl)acetate

2-(5-chloro-1-benzofuran-3-yl)acetate (PubChem CID 9158984) has the molecular formula C10H6ClO3- and a molecular weight of 209.61 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-3-yl)acetate
PubChem CID9158984
Molecular FormulaC10H6ClO3-
Molecular Weight209.61 g/mol
Exact Mass209.00
IUPAC Name2-(5-chloro-1-benzofuran-3-yl)acetate
SMILESO=C([O-])Cc1coc2ccc(Cl)cc12
InChIInChI=1S/C10H7ClO3/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)/p-1
InChIKeyJTRPWQDAQRNRGJ-UHFFFAOYSA-M
XLogP1.38
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.61
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1-benzofuran-3-yl)methanol
CID 3757833
N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
CID 110488755
5-chloro-3-(methoxymethyl)-1-benzofuran
CID 117174343
2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 18860311
2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide
CID 18860319
2-[6-(4-chloro-2-fluorophenyl)sulfonyloxy-1-benzofuran-3-yl]acetate
CID 9101420
N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine
CID 117174185
2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18860950
(4-chlorophenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18860472
5-chloro-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117174348
3-(6-chloro-4-oxochromen-3-yl)prop-2-enoate
CID 3387838
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)acetate?
The IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)acetate (CID 9158984) is 2-(5-chloro-1-benzofuran-3-yl)acetate.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-3-yl)acetate?
The canonical SMILES for 2-(5-chloro-1-benzofuran-3-yl)acetate is O=C([O-])Cc1coc2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1-benzofuran-3-yl)acetate?
The InChIKey is JTRPWQDAQRNRGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7ClO3/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)/p-1.
What are the key properties of 2-(5-chloro-1-benzofuran-3-yl)acetate?
2-(5-chloro-1-benzofuran-3-yl)acetate has a molecular weight of 209.61 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 9158984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).