1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol

C16H22O5 — CID 103404430

IUPAC1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol
SMILESCOCCOCCCOCC(O)c1cc2ccccc2o1
InChIInChI=1S/C16H22O5/c1-18-9-10-19-7-4-8-20-12-14(17)16-11-13-5-2-3-6-15(13)21-16/h2-3,5-6,11,14,17H,4,7-10,12H2,1H3
InChIKeyJPZHCGVPLYMHAQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.54
Rot. Bonds10

About 1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol

1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol (PubChem CID 103404430) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol
PubChem CID103404430
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol
SMILESCOCCOCCCOCC(O)c1cc2ccccc2o1
InChIInChI=1S/C16H22O5/c1-18-9-10-19-7-4-8-20-12-14(17)16-11-13-5-2-3-6-15(13)21-16/h2-3,5-6,11,14,17H,4,7-10,12H2,1H3
InChIKeyJPZHCGVPLYMHAQ-UHFFFAOYSA-N
XLogP2.54
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol (CID 103404430) is 1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol is COCCOCCCOCC(O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol?
The InChIKey is JPZHCGVPLYMHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-18-9-10-19-7-4-8-20-12-14(17)16-11-13-5-2-3-6-15(13)21-16/h2-3,5-6,11,14,17H,4,7-10,12H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol?
1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol has a molecular weight of 294.35 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol is sourced from PubChem (CID 103404430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).