5-(dimethoxymethyl)-1-benzofuran

C11H12O3 — CID 11816358

IUPAC5-(dimethoxymethyl)-1-benzofuran
SMILESCOC(OC)c1ccc2occc2c1
InChIInChI=1S/C11H12O3/c1-12-11(13-2)9-3-4-10-8(7-9)5-6-14-10/h3-7,11H,1-2H3
InChIKeyGXPJEYNIHJILGW-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.72
Rot. Bonds3

About 5-(dimethoxymethyl)-1-benzofuran

5-(dimethoxymethyl)-1-benzofuran (PubChem CID 11816358) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-1-benzofuran.

Molecular Properties

Compound Name5-(dimethoxymethyl)-1-benzofuran
PubChem CID11816358
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-(dimethoxymethyl)-1-benzofuran
SMILESCOC(OC)c1ccc2occc2c1
InChIInChI=1S/C11H12O3/c1-12-11(13-2)9-3-4-10-8(7-9)5-6-14-10/h3-7,11H,1-2H3
InChIKeyGXPJEYNIHJILGW-UHFFFAOYSA-N
XLogP2.72
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.72
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

5-(diphenoxymethyl)-1-benzofuran
CID 140773853
2-(1-benzofuran-5-yl)-2-bromoacetaldehyde
CID 87653601
2-(1-benzofuran-5-yl)-2-hydroxyacetic acid
CID 82403049
1-(1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 112709888
methane;5-methoxy-1-benzofuran
CID 160759261
2-(1-benzofuran-5-yl)-3,3-dimethylbutan-1-amine
CID 83821795
1-(1-benzofuran-5-yl)-3-bromopropane-1,2-diol
CID 171860132
2-acetamido-2-(1-benzofuran-5-yl)acetic acid
CID 20531252
3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine
CID 166892612
5-(propan-2-yloxymethyl)-1-benzofuran
CID 166645966
1-benzofuran-5-ol
CID 11651159
5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran
CID 142170058

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-1-benzofuran?
The IUPAC name of 5-(dimethoxymethyl)-1-benzofuran (CID 11816358) is 5-(dimethoxymethyl)-1-benzofuran.
What is the SMILES notation for 5-(dimethoxymethyl)-1-benzofuran?
The canonical SMILES for 5-(dimethoxymethyl)-1-benzofuran is COC(OC)c1ccc2occc2c1.
What is the InChIKey of 5-(dimethoxymethyl)-1-benzofuran?
The InChIKey is GXPJEYNIHJILGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-12-11(13-2)9-3-4-10-8(7-9)5-6-14-10/h3-7,11H,1-2H3.
What are the key properties of 5-(dimethoxymethyl)-1-benzofuran?
5-(dimethoxymethyl)-1-benzofuran has a molecular weight of 192.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-1-benzofuran is sourced from PubChem (CID 11816358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).