cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate

C23H24O7 — CID 67463796

IUPACcyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate
SMILESCCOc1c(OC)ccc(-c2cccc3c2COC3=O)c1OCC(=O)OCC1CC1
InChIInChI=1S/C23H24O7/c1-3-27-22-19(26-2)10-9-16(15-5-4-6-17-18(15)12-30-23(17)25)21(22)29-13-20(24)28-11-14-7-8-14/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3
InChIKeyGWSNSKWNFFTEOV-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.76
Rot. Bonds9

About cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate

cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate (PubChem CID 67463796) has the molecular formula C23H24O7 and a molecular weight of 412.44 g/mol. Its IUPAC name is cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate
PubChem CID67463796
Molecular FormulaC23H24O7
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Namecyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate
SMILESCCOc1c(OC)ccc(-c2cccc3c2COC3=O)c1OCC(=O)OCC1CC1
InChIInChI=1S/C23H24O7/c1-3-27-22-19(26-2)10-9-16(15-5-4-6-17-18(15)12-30-23(17)25)21(22)29-13-20(24)28-11-14-7-8-14/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3
InChIKeyGWSNSKWNFFTEOV-UHFFFAOYSA-N
XLogP3.76
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate?
The IUPAC name of cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate (CID 67463796) is cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate.
What is the SMILES notation for cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate?
The canonical SMILES for cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate is CCOc1c(OC)ccc(-c2cccc3c2COC3=O)c1OCC(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate?
The InChIKey is GWSNSKWNFFTEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O7/c1-3-27-22-19(26-2)10-9-16(15-5-4-6-17-18(15)12-30-23(17)25)21(22)29-13-20(24)28-11-14-7-8-14/h4-6,9-10,14H,3,7-8,11-13H2,1-2H3.
What are the key properties of cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate?
cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate has a molecular weight of 412.44 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-[2-ethoxy-3-methoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]acetate is sourced from PubChem (CID 67463796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).