ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate

C20H20O4 — CID 58820086

IUPACethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate
SMILESCCOC(=O)Cc1cc(Oc2cc(C)cc(C)c2)c2occc2c1
InChIInChI=1S/C20H20O4/c1-4-22-19(21)12-15-10-16-5-6-23-20(16)18(11-15)24-17-8-13(2)7-14(3)9-17/h5-11H,4,12H2,1-3H3
InChIKeyACTSCEVLOGXXBM-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.95
Rot. Bonds5

About ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate

ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate (PubChem CID 58820086) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate
PubChem CID58820086
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Nameethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate
SMILESCCOC(=O)Cc1cc(Oc2cc(C)cc(C)c2)c2occc2c1
InChIInChI=1S/C20H20O4/c1-4-22-19(21)12-15-10-16-5-6-23-20(16)18(11-15)24-17-8-13(2)7-14(3)9-17/h5-11H,4,12H2,1-3H3
InChIKeyACTSCEVLOGXXBM-UHFFFAOYSA-N
XLogP4.95
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate
CID 58820000
ethane;ethyl 2-(7-phenylmethoxy-1-benzofuran-5-yl)acetate
CID 91324608
ethyl 2-[2-[[7-(2-ethylphenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 157458873
1-aminopropan-2-yl 2-[7-(4-methylbenzenecarbothioyl)-1-benzofuran-5-yl]acetate
CID 88628609
ethyl 2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate
CID 139560842
ethyl 2-[3-amino-5-(4-bromo-2-formylphenoxy)phenyl]acetate
CID 143849668
ethyl 2-[2-[(7-bromo-1-benzofuran-5-yl)methoxy]-3,4-dimethylphenyl]acetate
CID 139560173
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
ethyl 2-[4-[(7-bromo-1-benzofuran-5-yl)methoxy]-1-benzofuran-5-yl]acetate
CID 139560672
ethane;ethyl 2-[2-[[7-[2-(aminomethyl)-3-fluoro-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate
CID 153351030
ethyl 2-[2-[[7-[5-(azidomethyl)-1-benzofuran-7-yl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139560118
ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139560840

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate?
The IUPAC name of ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate (CID 58820086) is ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate.
What is the SMILES notation for ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate?
The canonical SMILES for ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate is CCOC(=O)Cc1cc(Oc2cc(C)cc(C)c2)c2occc2c1.
What is the InChIKey of ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate?
The InChIKey is ACTSCEVLOGXXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-4-22-19(21)12-15-10-16-5-6-23-20(16)18(11-15)24-17-8-13(2)7-14(3)9-17/h5-11H,4,12H2,1-3H3.
What are the key properties of ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate?
ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate has a molecular weight of 324.38 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-(3,5-dimethylphenoxy)-1-benzofuran-5-yl]acetate is sourced from PubChem (CID 58820086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).