6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one

C12H14O3 — CID 141444171

IUPAC6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one
SMILESCC(C)CC1Oc2cc(O)ccc2C1=O
InChIInChI=1S/C12H14O3/c1-7(2)5-11-12(14)9-4-3-8(13)6-10(9)15-11/h3-4,6-7,11,13H,5H2,1-2H3
InChIKeySVQXNMPRZWRFBA-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.38
Rot. Bonds2

About 6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one

6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one (PubChem CID 141444171) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one
PubChem CID141444171
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one
SMILESCC(C)CC1Oc2cc(O)ccc2C1=O
InChIInChI=1S/C12H14O3/c1-7(2)5-11-12(14)9-4-3-8(13)6-10(9)15-11/h3-4,6-7,11,13H,5H2,1-2H3
InChIKeySVQXNMPRZWRFBA-UHFFFAOYSA-N
XLogP2.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one?
The IUPAC name of 6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one (CID 141444171) is 6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one.
What is the SMILES notation for 6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one?
The canonical SMILES for 6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one is CC(C)CC1Oc2cc(O)ccc2C1=O.
What is the InChIKey of 6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one?
The InChIKey is SVQXNMPRZWRFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7(2)5-11-12(14)9-4-3-8(13)6-10(9)15-11/h3-4,6-7,11,13H,5H2,1-2H3.
What are the key properties of 6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one?
6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one has a molecular weight of 206.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(2-methylpropyl)-1-benzofuran-3-one is sourced from PubChem (CID 141444171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).