2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol

C15H18N2O2 — CID 103572734

IUPAC2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cccc3c2OCC3)cn1
InChIInChI=1S/C15H18N2O2/c1-2-7-17-10-12(9-16-17)14(18)13-5-3-4-11-6-8-19-15(11)13/h3-5,9-10,14,18H,2,6-8H2,1H3
InChIKeyQCNMBKDTQDOWFM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.31
Rot. Bonds4

About 2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol

2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol (PubChem CID 103572734) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol
PubChem CID103572734
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cccc3c2OCC3)cn1
InChIInChI=1S/C15H18N2O2/c1-2-7-17-10-12(9-16-17)14(18)13-5-3-4-11-6-8-19-15(11)13/h3-5,9-10,14,18H,2,6-8H2,1H3
InChIKeyQCNMBKDTQDOWFM-UHFFFAOYSA-N
XLogP2.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(2-propylpyrazol-3-yl)methanol
CID 114743786
2,3-dihydro-1-benzofuran-7-yl-(1-methylimidazol-4-yl)methanol
CID 107978736
2,3-dihydro-1-benzofuran-7-yl-(5-ethylfuran-2-yl)methanol
CID 114743365
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
CID 114743275
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-4-pyridinyl)methanol
CID 114744728
3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
CID 114743317
2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol
CID 114743236
3,4-dihydro-2H-chromen-8-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114743713
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 115838948
N-[3,4-dihydro-2H-chromen-8-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114745509

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol (CID 103572734) is 2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)c2cccc3c2OCC3)cn1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol?
The InChIKey is QCNMBKDTQDOWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-7-17-10-12(9-16-17)14(18)13-5-3-4-11-6-8-19-15(11)13/h3-5,9-10,14,18H,2,6-8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol?
2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol has a molecular weight of 258.32 g/mol, XLogP of 2.31, 4 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-7-yl-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 103572734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).