4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide

C12H17NO3 — CID 2986289

IUPAC4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
SMILESCc1c(C(N)=O)oc2c1C(O)CC(C)(C)C2
InChIInChI=1S/C12H17NO3/c1-6-9-7(14)4-12(2,3)5-8(9)16-10(6)11(13)15/h7,14H,4-5H2,1-3H3,(H2,13,15)
InChIKeyHZKVXNACNYLIFG-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.69
Rot. Bonds1

About 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide

4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide (PubChem CID 2986289) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
PubChem CID2986289
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
SMILESCc1c(C(N)=O)oc2c1C(O)CC(C)(C)C2
InChIInChI=1S/C12H17NO3/c1-6-9-7(14)4-12(2,3)5-8(9)16-10(6)11(13)15/h7,14H,4-5H2,1-3H3,(H2,13,15)
InChIKeyHZKVXNACNYLIFG-UHFFFAOYSA-N
XLogP1.69
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The IUPAC name of 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide (CID 2986289) is 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide is Cc1c(C(N)=O)oc2c1C(O)CC(C)(C)C2.
What is the InChIKey of 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The InChIKey is HZKVXNACNYLIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-6-9-7(14)4-12(2,3)5-8(9)16-10(6)11(13)15/h7,14H,4-5H2,1-3H3,(H2,13,15).
What are the key properties of 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2986289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).