1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone

C18H18O4 — CID 68805805

IUPAC1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone
SMILESCCOc1ccccc1OC1c2ccccc2OC1C(C)=O
InChIInChI=1S/C18H18O4/c1-3-20-15-10-6-7-11-16(15)22-18-13-8-4-5-9-14(13)21-17(18)12(2)19/h4-11,17-18H,3H2,1-2H3
InChIKeyZFZXWHKPNNUYJF-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.56
Rot. Bonds5

About 1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone

1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone (PubChem CID 68805805) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone
PubChem CID68805805
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone
SMILESCCOc1ccccc1OC1c2ccccc2OC1C(C)=O
InChIInChI=1S/C18H18O4/c1-3-20-15-10-6-7-11-16(15)22-18-13-8-4-5-9-14(13)21-17(18)12(2)19/h4-11,17-18H,3H2,1-2H3
InChIKeyZFZXWHKPNNUYJF-UHFFFAOYSA-N
XLogP3.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone?
The IUPAC name of 1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone (CID 68805805) is 1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for 1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone?
The canonical SMILES for 1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone is CCOc1ccccc1OC1c2ccccc2OC1C(C)=O.
What is the InChIKey of 1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone?
The InChIKey is ZFZXWHKPNNUYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-20-15-10-6-7-11-16(15)22-18-13-8-4-5-9-14(13)21-17(18)12(2)19/h4-11,17-18H,3H2,1-2H3.
What are the key properties of 1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone?
1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone has a molecular weight of 298.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone is sourced from PubChem (CID 68805805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).