methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate

C15H20O4 — CID 10355440

IUPACmethyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate
SMILESCOC(=O)C1c2c(C)c(O)c(C)c(C)c2OC1(C)C
InChIInChI=1S/C15H20O4/c1-7-8(2)13-10(9(3)12(7)16)11(14(17)18-6)15(4,5)19-13/h11,16H,1-6H3
InChIKeyZXIFGJGMFDUJHJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.75
Rot. Bonds1

About methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate

methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate (PubChem CID 10355440) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate
PubChem CID10355440
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate
SMILESCOC(=O)C1c2c(C)c(O)c(C)c(C)c2OC1(C)C
InChIInChI=1S/C15H20O4/c1-7-8(2)13-10(9(3)12(7)16)11(14(17)18-6)15(4,5)19-13/h11,16H,1-6H3
InChIKeyZXIFGJGMFDUJHJ-UHFFFAOYSA-N
XLogP2.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate (CID 10355440) is methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate is COC(=O)C1c2c(C)c(O)c(C)c(C)c2OC1(C)C.
What is the InChIKey of methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate?
The InChIKey is ZXIFGJGMFDUJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-7-8(2)13-10(9(3)12(7)16)11(14(17)18-6)15(4,5)19-13/h11,16H,1-6H3.
What are the key properties of methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate?
methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-carboxylate is sourced from PubChem (CID 10355440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).