2-methyl-1-benzofuran-7-ol;piperazine

C13H18N2O2 — CID 174956498

IUPAC2-methyl-1-benzofuran-7-ol;piperazine
SMILESC1CNCCN1.Cc1cc2cccc(O)c2o1
InChIInChI=1S/C9H8O2.C4H10N2/c1-6-5-7-3-2-4-8(10)9(7)11-6;1-2-6-4-3-5-1/h2-5,10H,1H3;5-6H,1-4H2
InChIKeyZZMGHBLBYGKSCI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.63
Rot. Bonds

About 2-methyl-1-benzofuran-7-ol;piperazine

2-methyl-1-benzofuran-7-ol;piperazine (PubChem CID 174956498) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-1-benzofuran-7-ol;piperazine.

Molecular Properties

Compound Name2-methyl-1-benzofuran-7-ol;piperazine
PubChem CID174956498
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-methyl-1-benzofuran-7-ol;piperazine
SMILESC1CNCCN1.Cc1cc2cccc(O)c2o1
InChIInChI=1S/C9H8O2.C4H10N2/c1-6-5-7-3-2-4-8(10)9(7)11-6;1-2-6-4-3-5-1/h2-5,10H,1H3;5-6H,1-4H2
InChIKeyZZMGHBLBYGKSCI-UHFFFAOYSA-N
XLogP1.63
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-benzofuran-7-ol;piperazine?
The IUPAC name of 2-methyl-1-benzofuran-7-ol;piperazine (CID 174956498) is 2-methyl-1-benzofuran-7-ol;piperazine.
What is the SMILES notation for 2-methyl-1-benzofuran-7-ol;piperazine?
The canonical SMILES for 2-methyl-1-benzofuran-7-ol;piperazine is C1CNCCN1.Cc1cc2cccc(O)c2o1.
What is the InChIKey of 2-methyl-1-benzofuran-7-ol;piperazine?
The InChIKey is ZZMGHBLBYGKSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.C4H10N2/c1-6-5-7-3-2-4-8(10)9(7)11-6;1-2-6-4-3-5-1/h2-5,10H,1H3;5-6H,1-4H2.
What are the key properties of 2-methyl-1-benzofuran-7-ol;piperazine?
2-methyl-1-benzofuran-7-ol;piperazine has a molecular weight of 234.30 g/mol, XLogP of 1.63, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-benzofuran-7-ol;piperazine is sourced from PubChem (CID 174956498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).