4-(1-benzofuran-2-yl)butane-1,2-diol

C12H14O3 — CID 102166190

IUPAC4-(1-benzofuran-2-yl)butane-1,2-diol
SMILESOCC(O)CCc1cc2ccccc2o1
InChIInChI=1S/C12H14O3/c13-8-10(14)5-6-11-7-9-3-1-2-4-12(9)15-11/h1-4,7,10,13-14H,5-6,8H2
InChIKeyXGSRVVVHMGSPGV-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.72
Rot. Bonds4

About 4-(1-benzofuran-2-yl)butane-1,2-diol

4-(1-benzofuran-2-yl)butane-1,2-diol (PubChem CID 102166190) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)butane-1,2-diol
PubChem CID102166190
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4-(1-benzofuran-2-yl)butane-1,2-diol
SMILESOCC(O)CCc1cc2ccccc2o1
InChIInChI=1S/C12H14O3/c13-8-10(14)5-6-11-7-9-3-1-2-4-12(9)15-11/h1-4,7,10,13-14H,5-6,8H2
InChIKeyXGSRVVVHMGSPGV-UHFFFAOYSA-N
XLogP1.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine
CID 114733291
CID 156725408
CID 156725408
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea
CID 111444232
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
2-decyl-1-benzofuran
CID 15365265
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium
CID 140776559
1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea
CID 57051691
2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol
CID 55081813

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)butane-1,2-diol?
The IUPAC name of 4-(1-benzofuran-2-yl)butane-1,2-diol (CID 102166190) is 4-(1-benzofuran-2-yl)butane-1,2-diol.
What is the SMILES notation for 4-(1-benzofuran-2-yl)butane-1,2-diol?
The canonical SMILES for 4-(1-benzofuran-2-yl)butane-1,2-diol is OCC(O)CCc1cc2ccccc2o1.
What is the InChIKey of 4-(1-benzofuran-2-yl)butane-1,2-diol?
The InChIKey is XGSRVVVHMGSPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-8-10(14)5-6-11-7-9-3-1-2-4-12(9)15-11/h1-4,7,10,13-14H,5-6,8H2.
What are the key properties of 4-(1-benzofuran-2-yl)butane-1,2-diol?
4-(1-benzofuran-2-yl)butane-1,2-diol has a molecular weight of 206.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)butane-1,2-diol is sourced from PubChem (CID 102166190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).