3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile

C15H17NO4 — CID 103179726

IUPAC3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile
SMILESCOCCCOCCOc1c(C#N)oc2ccccc12
InChIInChI=1S/C15H17NO4/c1-17-7-4-8-18-9-10-19-15-12-5-2-3-6-13(12)20-14(15)11-16/h2-3,5-6H,4,7-10H2,1H3
InChIKeyZXGLUMGJHRVMNN-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.74
Rot. Bonds8

About 3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile

3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile (PubChem CID 103179726) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile
PubChem CID103179726
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile
SMILESCOCCCOCCOc1c(C#N)oc2ccccc12
InChIInChI=1S/C15H17NO4/c1-17-7-4-8-18-9-10-19-15-12-5-2-3-6-13(12)20-14(15)11-16/h2-3,5-6H,4,7-10H2,1H3
InChIKeyZXGLUMGJHRVMNN-UHFFFAOYSA-N
XLogP2.74
TPSA64.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-aminoethoxy)ethoxy]-1-benzofuran-2-carbonitrile
CID 103482585
3-[(2-cyano-1-benzofuran-3-yl)oxy]propane-1-sulfonyl chloride
CID 113399688
3-[2-(1-methylpiperidin-2-yl)ethoxy]-1-benzofuran-2-carbonitrile
CID 107912198
3-[(Z)-3-chloro-2-methylprop-2-enoxy]-1-benzofuran-2-carbonitrile
CID 106438468
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
3-[(E)-2,3-dichloroprop-2-enoxy]-1-benzofuran-2-carbonitrile
CID 113399659
3-[(3,5-difluorophenyl)methoxy]-1-benzofuran-2-carbonitrile
CID 105403452
6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile
CID 103177589
4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
3-[(5-bromo-3-pyridinyl)methoxy]-1-benzofuran-2-carbonitrile
CID 104797275
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
3-amino-5-iodo-4-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 103177319

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile (CID 103179726) is 3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile is COCCCOCCOc1c(C#N)oc2ccccc12.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile?
The InChIKey is ZXGLUMGJHRVMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-17-7-4-8-18-9-10-19-15-12-5-2-3-6-13(12)20-14(15)11-16/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile?
3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile has a molecular weight of 275.30 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethoxy]-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 103179726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).