5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione

C19H18O4 — CID 142393882

IUPAC5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione
SMILESCCC(CC)(Oc1ccc2c(c1)C(=O)OC2=O)c1ccccc1
InChIInChI=1S/C19H18O4/c1-3-19(4-2,13-8-6-5-7-9-13)23-14-10-11-15-16(12-14)18(21)22-17(15)20/h5-12H,3-4H2,1-2H3
InChIKeySLZPJFSDUBSTBB-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.09
Rot. Bonds5

About 5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione

5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione (PubChem CID 142393882) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione
PubChem CID142393882
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione
SMILESCCC(CC)(Oc1ccc2c(c1)C(=O)OC2=O)c1ccccc1
InChIInChI=1S/C19H18O4/c1-3-19(4-2,13-8-6-5-7-9-13)23-14-10-11-15-16(12-14)18(21)22-17(15)20/h5-12H,3-4H2,1-2H3
InChIKeySLZPJFSDUBSTBB-UHFFFAOYSA-N
XLogP4.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-propoxy-2-benzofuran-1,3-dione
CID 139672196
5-[4-[1-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-2,2,2-trifluoro-1-phenylethyl]phenoxy]-2-benzofuran-1,3-dione
CID 102003983
5-butan-2-yloxy-2-benzofuran-1,3-dione
CID 139672180
benzene;bis(2-benzofuran-1,3-dione);propane
CID 157076955
5-hexoxy-2-benzofuran-1,3-dione
CID 88840475
5-(2-methylpropoxy)-2-benzofuran-1,3-dione
CID 139672228
6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
CID 155092283
benzene;2-benzofuran-1,3-dione;ethane;propane
CID 158385205
5-(1,1,2,2-tetrafluoro-2-phenylethyl)-2-benzofuran-1,3-dione
CID 118000599
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
1,3-dioxo-2-benzofuran-5-carboxylic acid;propane
CID 88813188
[3-(aminomethyl)phenyl]methanamine;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
CID 157302774

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione?
The IUPAC name of 5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione (CID 142393882) is 5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione?
The canonical SMILES for 5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione is CCC(CC)(Oc1ccc2c(c1)C(=O)OC2=O)c1ccccc1.
What is the InChIKey of 5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione?
The InChIKey is SLZPJFSDUBSTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-3-19(4-2,13-8-6-5-7-9-13)23-14-10-11-15-16(12-14)18(21)22-17(15)20/h5-12H,3-4H2,1-2H3.
What are the key properties of 5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione?
5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione has a molecular weight of 310.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione is sourced from PubChem (CID 142393882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).