2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one

C14H18O4 — CID 13303008

IUPAC2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one
SMILESCCOC(C)C1Oc2cc(C)c(O)c(C)c2C1=O
InChIInChI=1S/C14H18O4/c1-5-17-9(4)14-13(16)11-8(3)12(15)7(2)6-10(11)18-14/h6,9,14-15H,5H2,1-4H3
InChIKeyDTSUGZJRYNOBGO-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.38
Rot. Bonds3

About 2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one

2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one (PubChem CID 13303008) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one
PubChem CID13303008
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one
SMILESCCOC(C)C1Oc2cc(C)c(O)c(C)c2C1=O
InChIInChI=1S/C14H18O4/c1-5-17-9(4)14-13(16)11-8(3)12(15)7(2)6-10(11)18-14/h6,9,14-15H,5H2,1-4H3
InChIKeyDTSUGZJRYNOBGO-UHFFFAOYSA-N
XLogP2.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one?
The IUPAC name of 2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one (CID 13303008) is 2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one.
What is the SMILES notation for 2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one?
The canonical SMILES for 2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one is CCOC(C)C1Oc2cc(C)c(O)c(C)c2C1=O.
What is the InChIKey of 2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one?
The InChIKey is DTSUGZJRYNOBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-5-17-9(4)14-13(16)11-8(3)12(15)7(2)6-10(11)18-14/h6,9,14-15H,5H2,1-4H3.
What are the key properties of 2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one?
2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one has a molecular weight of 250.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-5-hydroxy-4,6-dimethyl-1-benzofuran-3-one is sourced from PubChem (CID 13303008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).