4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol

C12H14N2O2 — CID 115467071

IUPAC4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCn1nccc1C1(O)CCCc2occc21
InChIInChI=1S/C12H14N2O2/c1-14-11(4-7-13-14)12(15)6-2-3-10-9(12)5-8-16-10/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyOZZGAOQQYXTXTB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.59
Rot. Bonds1

About 4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol

4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 115467071) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID115467071
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCn1nccc1C1(O)CCCc2occc21
InChIInChI=1S/C12H14N2O2/c1-14-11(4-7-13-14)12(15)6-2-3-10-9(12)5-8-16-10/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyOZZGAOQQYXTXTB-UHFFFAOYSA-N
XLogP1.59
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol (CID 115467071) is 4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol is Cn1nccc1C1(O)CCCc2occc21.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is OZZGAOQQYXTXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14-11(4-7-13-14)12(15)6-2-3-10-9(12)5-8-16-10/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol?
4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol has a molecular weight of 218.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 115467071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).