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

C12H11ClO3 — CID 82645490

IUPACethyl 2-(5-chloro-1-benzofuran-2-yl)acetate
SMILESCCOC(=O)Cc1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H11ClO3/c1-2-15-12(14)7-10-6-8-5-9(13)3-4-11(8)16-10/h3-6H,2,7H2,1H3
InChIKeyIDYBKVLCJPBQCL-UHFFFAOYSA-N
MW238.67 g/mol
LogP3.19
Rot. Bonds3

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

ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate (PubChem CID 82645490) has the molecular formula C12H11ClO3 and a molecular weight of 238.67 g/mol. Its IUPAC name is ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-1-benzofuran-2-yl)acetate
PubChem CID82645490
Molecular FormulaC12H11ClO3
Molecular Weight238.67 g/mol
Exact Mass238.04
IUPAC Nameethyl 2-(5-chloro-1-benzofuran-2-yl)acetate
SMILESCCOC(=O)Cc1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H11ClO3/c1-2-15-12(14)7-10-6-8-5-9(13)3-4-11(8)16-10/h3-6H,2,7H2,1H3
InChIKeyIDYBKVLCJPBQCL-UHFFFAOYSA-N
XLogP3.19
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate
CID 86813424
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate
CID 23074286
ethyl 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoroacetate
CID 114732688
ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate
CID 114732712
2-[(5-chloro-1-benzofuran-2-yl)methoxy]-2-methylpropanoic acid
CID 14801722
ethyl 2-(6-chloro-1-benzofuran-3-yl)acetate
CID 12936152
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
CID 29076016
2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one
CID 114736238
ethyl 2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)acetate
CID 166443613
2-(6-chloro-1-benzofuran-2-yl)acetic acid
CID 82612573
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate?
The IUPAC name of ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate (CID 82645490) is ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate is CCOC(=O)Cc1cc2cc(Cl)ccc2o1.
What is the InChIKey of ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate?
The InChIKey is IDYBKVLCJPBQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3/c1-2-15-12(14)7-10-6-8-5-9(13)3-4-11(8)16-10/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate?
ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate has a molecular weight of 238.67 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate is sourced from PubChem (CID 82645490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).