ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate

C12H12O4 — CID 58820000

IUPACethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate
SMILESCCOC(=O)Cc1cc(O)c2occc2c1
InChIInChI=1S/C12H12O4/c1-2-15-11(14)7-8-5-9-3-4-16-12(9)10(13)6-8/h3-6,13H,2,7H2,1H3
InChIKeyCPVQLAUFKPLOTR-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.24
Rot. Bonds3

About ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate

ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate (PubChem CID 58820000) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate
PubChem CID58820000
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Nameethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate
SMILESCCOC(=O)Cc1cc(O)c2occc2c1
InChIInChI=1S/C12H12O4/c1-2-15-11(14)7-8-5-9-3-4-16-12(9)10(13)6-8/h3-6,13H,2,7H2,1H3
InChIKeyCPVQLAUFKPLOTR-UHFFFAOYSA-N
XLogP2.24
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethyl 2-(7-phenylmethoxy-1-benzofuran-5-yl)acetate
CID 91324608
ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate
CID 58820086
ethyl 2-[2-[[7-(2-ethylphenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 157458873
ethyl 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-3,4-dimethylphenyl]acetate
CID 139560173
ethyl 2-[4-[(7-bromo-1-benzofuran-5-yl)methoxy]-1-benzofuran-5-yl]acetate
CID 139560672
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
ethyl 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-3-methylphenyl]acetate;hexane
CID 139561372
ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
CID 25139319
ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate
CID 164736948
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
ethyl 2-[3-(2-hydroxyphenyl)phenyl]acetate
CID 23218458
ethyl 2-phenylacetate
CID 7590

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate?
The IUPAC name of ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate (CID 58820000) is ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate.
What is the SMILES notation for ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate?
The canonical SMILES for ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate is CCOC(=O)Cc1cc(O)c2occc2c1.
What is the InChIKey of ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate?
The InChIKey is CPVQLAUFKPLOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-2-15-11(14)7-8-5-9-3-4-16-12(9)10(13)6-8/h3-6,13H,2,7H2,1H3.
What are the key properties of ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate?
ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate has a molecular weight of 220.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate is sourced from PubChem (CID 58820000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).