6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol

C14H16N2O3 — CID 103749474

IUPAC6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
SMILESCn1cc(CCOc2ccc3c(c2)OCC3O)cn1
InChIInChI=1S/C14H16N2O3/c1-16-8-10(7-15-16)4-5-18-11-2-3-12-13(17)9-19-14(12)6-11/h2-3,6-8,13,17H,4-5,9H2,1H3
InChIKeyYUIAUZOFKJDRQY-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.47
Rot. Bonds4

About 6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol

6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 103749474) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
PubChem CID103749474
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
SMILESCn1cc(CCOc2ccc3c(c2)OCC3O)cn1
InChIInChI=1S/C14H16N2O3/c1-16-8-10(7-15-16)4-5-18-11-2-3-12-13(17)9-19-14(12)6-11/h2-3,6-8,13,17H,4-5,9H2,1H3
InChIKeyYUIAUZOFKJDRQY-UHFFFAOYSA-N
XLogP1.47
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55177806
6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 64566719
2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103844540
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid
CID 107671163
6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096948
6-[(3-ethylimidazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 66154345
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55178381
[2-bromo-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999884
trifluoro-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]boranuide
CID 103003926

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol (CID 103749474) is 6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol is Cn1cc(CCOc2ccc3c(c2)OCC3O)cn1.
What is the InChIKey of 6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is YUIAUZOFKJDRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-8-10(7-15-16)4-5-18-11-2-3-12-13(17)9-19-14(12)6-11/h2-3,6-8,13,17H,4-5,9H2,1H3.
What are the key properties of 6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol?
6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 260.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 103749474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).