5-hexoxy-2-benzofuran-1,3-dione

C14H16O4 — CID 88840475

IUPAC5-hexoxy-2-benzofuran-1,3-dione
SMILESCCCCCCOc1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C14H16O4/c1-2-3-4-5-8-17-10-6-7-11-12(9-10)14(16)18-13(11)15/h6-7,9H,2-5,8H2,1H3
InChIKeyWKIXABJXIQWDIS-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.96
Rot. Bonds6

About 5-hexoxy-2-benzofuran-1,3-dione

5-hexoxy-2-benzofuran-1,3-dione (PubChem CID 88840475) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-hexoxy-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-hexoxy-2-benzofuran-1,3-dione
PubChem CID88840475
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name5-hexoxy-2-benzofuran-1,3-dione
SMILESCCCCCCOc1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C14H16O4/c1-2-3-4-5-8-17-10-6-7-11-12(9-10)14(16)18-13(11)15/h6-7,9H,2-5,8H2,1H3
InChIKeyWKIXABJXIQWDIS-UHFFFAOYSA-N
XLogP2.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-propoxy-2-benzofuran-1,3-dione
CID 139672196
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione
CID 101165198
2-octadecoxytetracene-5,12-dione
CID 19812763
5-octan-2-yloxy-2-benzofuran-1,3-dione
CID 139672259
2-(12-docosoxydodecoxy)fluoren-9-one
CID 66718989
2-dodecoxy-6-hydroxyanthracene-9,10-dione
CID 71351025
5-(2-methylpropoxy)-2-benzofuran-1,3-dione
CID 139672228
1,3-dihexadecoxybenzene
CID 12686834
(2E)-5-dodecoxy-2-(hydroxymethylidene)indene-1,3-dione
CID 59879740
(5-hexoxy-1,3-dioxoinden-2-yl) propanoate
CID 139890592
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-2-benzofuran-1,3-dione?
The IUPAC name of 5-hexoxy-2-benzofuran-1,3-dione (CID 88840475) is 5-hexoxy-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-hexoxy-2-benzofuran-1,3-dione?
The canonical SMILES for 5-hexoxy-2-benzofuran-1,3-dione is CCCCCCOc1ccc2c(c1)C(=O)OC2=O.
What is the InChIKey of 5-hexoxy-2-benzofuran-1,3-dione?
The InChIKey is WKIXABJXIQWDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-2-3-4-5-8-17-10-6-7-11-12(9-10)14(16)18-13(11)15/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 5-hexoxy-2-benzofuran-1,3-dione?
5-hexoxy-2-benzofuran-1,3-dione has a molecular weight of 248.28 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-2-benzofuran-1,3-dione is sourced from PubChem (CID 88840475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).