6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol

C12H12O3 — CID 63096948

IUPAC6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol
SMILESCC#CCOc1ccc2c(c1)OCC2O
InChIInChI=1S/C12H12O3/c1-2-3-6-14-9-4-5-10-11(13)8-15-12(10)7-9/h4-5,7,11,13H,6,8H2,1H3
InChIKeyGHONJDRJGFZBBQ-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.51
Rot. Bonds2

About 6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol

6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 63096948) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol
PubChem CID63096948
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol
SMILESCC#CCOc1ccc2c(c1)OCC2O
InChIInChI=1S/C12H12O3/c1-2-3-6-14-9-4-5-10-11(13)8-15-12(10)7-9/h4-5,7,11,13H,6,8H2,1H3
InChIKeyGHONJDRJGFZBBQ-UHFFFAOYSA-N
XLogP1.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-phenylprop-2-ynoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 63096784
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
7-but-2-ynoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 62312344
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
6-(3-fluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 81113494
6-[2-(4-bromophenoxy)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63096773
5-but-2-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 107684782
6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 64566719
ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
CID 63097126
5-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]-2,2-dimethylpentanenitrile
CID 65255933
6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096962
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55178381

Frequently Asked Questions

What is the IUPAC name of 6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol (CID 63096948) is 6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol is CC#CCOc1ccc2c(c1)OCC2O.
What is the InChIKey of 6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is GHONJDRJGFZBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-3-6-14-9-4-5-10-11(13)8-15-12(10)7-9/h4-5,7,11,13H,6,8H2,1H3.
What are the key properties of 6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol?
6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 204.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 63096948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).