4-(diethoxymethyl)benzo[e][1]benzofuran

C17H18O3 — CID 139258572

IUPAC4-(diethoxymethyl)benzo[e][1]benzofuran
SMILESCCOC(OCC)c1cc2ccccc2c2ccoc12
InChIInChI=1S/C17H18O3/c1-3-18-17(19-4-2)15-11-12-7-5-6-8-13(12)14-9-10-20-16(14)15/h5-11,17H,3-4H2,1-2H3
InChIKeyDZXRAWDGYYTSGD-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.66
Rot. Bonds5

About 4-(diethoxymethyl)benzo[e][1]benzofuran

4-(diethoxymethyl)benzo[e][1]benzofuran (PubChem CID 139258572) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(diethoxymethyl)benzo[e][1]benzofuran.

Molecular Properties

Compound Name4-(diethoxymethyl)benzo[e][1]benzofuran
PubChem CID139258572
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-(diethoxymethyl)benzo[e][1]benzofuran
SMILESCCOC(OCC)c1cc2ccccc2c2ccoc12
InChIInChI=1S/C17H18O3/c1-3-18-17(19-4-2)15-11-12-7-5-6-8-13(12)14-9-10-20-16(14)15/h5-11,17H,3-4H2,1-2H3
InChIKeyDZXRAWDGYYTSGD-UHFFFAOYSA-N
XLogP4.66
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl benzo[e][1]benzofuran-4-carboxylate
CID 139258571
benzo[e][1]benzofuran-4-carbaldehyde
CID 102499967
benzo[g][1]benzofuran-4-ylboronic acid
CID 171854414
naphtho[1,2-g][1]benzofuran-11-carbaldehyde
CID 14770244
4-chlorobenzo[g][1]benzofuran
CID 176753824
benzo[e][1]benzofuran;N,N-dimethylmethanamine
CID 174542666
boric acid;9-ethoxyanthracene
CID 175362289
N-(2-benzo[e][1]benzofuran-4-ylethyl)acetamide
CID 70294413
2-(diethoxymethyl)-N,N-dimethylnaphthalene-1-carboxamide
CID 10685706
(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433
ethoxyethane;phenanthrene
CID 174652079
5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran
CID 176877241

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)benzo[e][1]benzofuran?
The IUPAC name of 4-(diethoxymethyl)benzo[e][1]benzofuran (CID 139258572) is 4-(diethoxymethyl)benzo[e][1]benzofuran.
What is the SMILES notation for 4-(diethoxymethyl)benzo[e][1]benzofuran?
The canonical SMILES for 4-(diethoxymethyl)benzo[e][1]benzofuran is CCOC(OCC)c1cc2ccccc2c2ccoc12.
What is the InChIKey of 4-(diethoxymethyl)benzo[e][1]benzofuran?
The InChIKey is DZXRAWDGYYTSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-18-17(19-4-2)15-11-12-7-5-6-8-13(12)14-9-10-20-16(14)15/h5-11,17H,3-4H2,1-2H3.
What are the key properties of 4-(diethoxymethyl)benzo[e][1]benzofuran?
4-(diethoxymethyl)benzo[e][1]benzofuran has a molecular weight of 270.33 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)benzo[e][1]benzofuran is sourced from PubChem (CID 139258572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).