methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate

C20H26O6 — CID 86757618

IUPACmethyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate
SMILESCOC(=O)Cc1cccc2c(CCOC3CCCCO3)c(CCO)oc12
InChIInChI=1S/C20H26O6/c1-23-18(22)13-14-5-4-6-16-15(17(8-10-21)26-20(14)16)9-12-25-19-7-2-3-11-24-19/h4-6,19,21H,2-3,7-13H2,1H3
InChIKeyFUWRGFLAQZBJAU-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.77
Rot. Bonds8

About methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate

methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate (PubChem CID 86757618) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate
PubChem CID86757618
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Namemethyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate
SMILESCOC(=O)Cc1cccc2c(CCOC3CCCCO3)c(CCO)oc12
InChIInChI=1S/C20H26O6/c1-23-18(22)13-14-5-4-6-16-15(17(8-10-21)26-20(14)16)9-12-25-19-7-2-3-11-24-19/h4-6,19,21H,2-3,7-13H2,1H3
InChIKeyFUWRGFLAQZBJAU-UHFFFAOYSA-N
XLogP2.77
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate with MolForge

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Related Compounds

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[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid
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CID 87419221
CID 87419221
methyl 2-[2-(oxan-2-yloxy)ethyl]-1H-indole-5-carboxylate
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2-(naphthalen-1-ylmethoxy)oxane
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3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide
CID 125419741
3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide
CID 11282147

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate?
The IUPAC name of methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate (CID 86757618) is methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate is COC(=O)Cc1cccc2c(CCOC3CCCCO3)c(CCO)oc12.
What is the InChIKey of methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate?
The InChIKey is FUWRGFLAQZBJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-23-18(22)13-14-5-4-6-16-15(17(8-10-21)26-20(14)16)9-12-25-19-7-2-3-11-24-19/h4-6,19,21H,2-3,7-13H2,1H3.
What are the key properties of methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate?
methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate has a molecular weight of 362.42 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-hydroxyethyl)-3-[2-(oxan-2-yloxy)ethyl]-1-benzofuran-7-yl]acetate is sourced from PubChem (CID 86757618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).