5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one

C15H18O4 — CID 139260437

IUPAC5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one
SMILESCOC1(c2ccccc2O)OC(C(C)(C)C)=CC1=O
InChIInChI=1S/C15H18O4/c1-14(2,3)13-9-12(17)15(18-4,19-13)10-7-5-6-8-11(10)16/h5-9,16H,1-4H3
InChIKeyJWOPLOYQOKQKQI-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.72
Rot. Bonds2

About 5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one

5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one (PubChem CID 139260437) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one.

Molecular Properties

Compound Name5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one
PubChem CID139260437
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one
SMILESCOC1(c2ccccc2O)OC(C(C)(C)C)=CC1=O
InChIInChI=1S/C15H18O4/c1-14(2,3)13-9-12(17)15(18-4,19-13)10-7-5-6-8-11(10)16/h5-9,16H,1-4H3
InChIKeyJWOPLOYQOKQKQI-UHFFFAOYSA-N
XLogP2.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one?
The IUPAC name of 5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one (CID 139260437) is 5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one.
What is the SMILES notation for 5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one?
The canonical SMILES for 5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one is COC1(c2ccccc2O)OC(C(C)(C)C)=CC1=O.
What is the InChIKey of 5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one?
The InChIKey is JWOPLOYQOKQKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-14(2,3)13-9-12(17)15(18-4,19-13)10-7-5-6-8-11(10)16/h5-9,16H,1-4H3.
What are the key properties of 5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one?
5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one has a molecular weight of 262.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one is sourced from PubChem (CID 139260437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).