ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate

C14H18O5 — CID 170367856

IUPACethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate
SMILESCCOC(=O)CC1COc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H18O5/c1-4-18-14(15)5-9-8-19-11-7-13(17-3)12(16-2)6-10(9)11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyYMDAADZJDALHAM-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.13
Rot. Bonds5

About ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate

ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate (PubChem CID 170367856) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate
PubChem CID170367856
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate
SMILESCCOC(=O)CC1COc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H18O5/c1-4-18-14(15)5-9-8-19-11-7-13(17-3)12(16-2)6-10(9)11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyYMDAADZJDALHAM-UHFFFAOYSA-N
XLogP2.13
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate
CID 14330292
ethyl 2-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)acetate
CID 132528258
5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
ethyl (3S)-6,7-dimethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 125479982
ethyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-3-yl)-3-oxobutanoate
CID 176861752
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
ethyl 2-[(1S,3R)-6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
CID 15269937
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)propan-2-one
CID 117202321
ethyl 2-(6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-yl)acetate
CID 146232024
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
ethyl 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 142856087
3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one
CID 91622426

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate?
The IUPAC name of ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate (CID 170367856) is ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate?
The canonical SMILES for ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate is CCOC(=O)CC1COc2cc(OC)c(OC)cc21.
What is the InChIKey of ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate?
The InChIKey is YMDAADZJDALHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-18-14(15)5-9-8-19-11-7-13(17-3)12(16-2)6-10(9)11/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate?
ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate has a molecular weight of 266.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 170367856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).