1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol

C16H22O4 — CID 115942479

IUPAC1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
SMILESCC(C)(C)OCCOCC(O)c1cc2ccccc2o1
InChIInChI=1S/C16H22O4/c1-16(2,3)19-9-8-18-11-13(17)15-10-12-6-4-5-7-14(12)20-15/h4-7,10,13,17H,8-9,11H2,1-3H3
InChIKeyNWPDHZTZBCJDCB-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.30
Rot. Bonds6

About 1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol

1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol (PubChem CID 115942479) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
PubChem CID115942479
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
SMILESCC(C)(C)OCCOCC(O)c1cc2ccccc2o1
InChIInChI=1S/C16H22O4/c1-16(2,3)19-9-8-18-11-13(17)15-10-12-6-4-5-7-14(12)20-15/h4-7,10,13,17H,8-9,11H2,1-3H3
InChIKeyNWPDHZTZBCJDCB-UHFFFAOYSA-N
XLogP3.30
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanol
CID 103404430
1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685636
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol
CID 115836093
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130050
1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 112588838
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
CID 63017494
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol (CID 115942479) is 1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol is CC(C)(C)OCCOCC(O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol?
The InChIKey is NWPDHZTZBCJDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-16(2,3)19-9-8-18-11-13(17)15-10-12-6-4-5-7-14(12)20-15/h4-7,10,13,17H,8-9,11H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol?
1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol has a molecular weight of 278.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol is sourced from PubChem (CID 115942479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).