7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one

C11H12O4 — CID 146683418

IUPAC7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one
SMILESCOCc1cc(C)c(O)c2c1COC2=O
InChIInChI=1S/C11H12O4/c1-6-3-7(4-14-2)8-5-15-11(13)9(8)10(6)12/h3,12H,4-5H2,1-2H3
InChIKeyHLFZJDRFPRVQJQ-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.52
Rot. Bonds2

About 7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one

7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one (PubChem CID 146683418) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one
PubChem CID146683418
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one
SMILESCOCc1cc(C)c(O)c2c1COC2=O
InChIInChI=1S/C11H12O4/c1-6-3-7(4-14-2)8-5-15-11(13)9(8)10(6)12/h3,12H,4-5H2,1-2H3
InChIKeyHLFZJDRFPRVQJQ-UHFFFAOYSA-N
XLogP1.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one?
The IUPAC name of 7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one (CID 146683418) is 7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for 7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one is COCc1cc(C)c(O)c2c1COC2=O.
What is the InChIKey of 7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one?
The InChIKey is HLFZJDRFPRVQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-6-3-7(4-14-2)8-5-15-11(13)9(8)10(6)12/h3,12H,4-5H2,1-2H3.
What are the key properties of 7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one?
7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one has a molecular weight of 208.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 146683418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).