5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one

C15H18O5 — CID 146183931

IUPAC5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one
SMILESC=Cc1ccc2c(c1OCCOCCOC)COC2=O
InChIInChI=1S/C15H18O5/c1-3-11-4-5-12-13(10-20-15(12)16)14(11)19-9-8-18-7-6-17-2/h3-5H,1,6-10H2,2H3
InChIKeyZAYVTGLPZJZCKO-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.04
Rot. Bonds8

About 5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one

5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one (PubChem CID 146183931) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one
PubChem CID146183931
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one
SMILESC=Cc1ccc2c(c1OCCOCCOC)COC2=O
InChIInChI=1S/C15H18O5/c1-3-11-4-5-12-13(10-20-15(12)16)14(11)19-9-8-18-7-6-17-2/h3-5H,1,6-10H2,2H3
InChIKeyZAYVTGLPZJZCKO-UHFFFAOYSA-N
XLogP2.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.04
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

4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one
CID 66643947
2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione
CID 132569255
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415
3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]cyclobut-3-ene-1,2-dione
CID 169054321
4-methyl-1-oxo-3H-2-benzofuran-5-carbaldehyde
CID 118174393
2-[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-4-yl)phenoxy]ethyl 3-methylbutanoate
CID 71279884
2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene
CID 118268661
5-bromo-4-(3-methylidene-5-phenylmethoxypentoxy)-3H-2-benzofuran-1-one
CID 171529654
4-ethenyl-5-hexyl-3H-2-benzofuran-1-one
CID 11021137
5-bromo-4-hydroxy-3H-2-benzofuran-1-one;5-bromo-4-methoxy-3H-2-benzofuran-1-one
CID 158192165
2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde
CID 155578596

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one?
The IUPAC name of 5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one (CID 146183931) is 5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one is C=Cc1ccc2c(c1OCCOCCOC)COC2=O.
What is the InChIKey of 5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one?
The InChIKey is ZAYVTGLPZJZCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-3-11-4-5-12-13(10-20-15(12)16)14(11)19-9-8-18-7-6-17-2/h3-5H,1,6-10H2,2H3.
What are the key properties of 5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one?
5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one has a molecular weight of 278.30 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-[2-(2-methoxyethoxy)ethoxy]-3H-2-benzofuran-1-one is sourced from PubChem (CID 146183931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).