2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol

C15H18N2O2 — CID 104542185

IUPAC2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
SMILESCCc1nn(C)cc1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H18N2O2/c1-3-13-12(9-17(2)16-13)15(18)11-4-5-14-10(8-11)6-7-19-14/h4-5,8-9,15,18H,3,6-7H2,1-2H3
InChIKeyVUYQKERXKKPPFQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.00
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol

2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol (PubChem CID 104542185) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
PubChem CID104542185
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
SMILESCCc1nn(C)cc1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H18N2O2/c1-3-13-12(9-17(2)16-13)15(18)11-4-5-14-10(8-11)6-7-19-14/h4-5,8-9,15,18H,3,6-7H2,1-2H3
InChIKeyVUYQKERXKKPPFQ-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol
CID 113425039
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812303
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811856
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol
CID 63976111
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol
CID 61100079
3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114743713
2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105092346
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol (CID 104542185) is 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol is CCc1nn(C)cc1C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The InChIKey is VUYQKERXKKPPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-13-12(9-17(2)16-13)15(18)11-4-5-14-10(8-11)6-7-19-14/h4-5,8-9,15,18H,3,6-7H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol has a molecular weight of 258.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 104542185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).