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

C12H14O3 — CID 124681415

IUPAC(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
SMILESOCCC[C@@H](O)c1cc2ccccc2o1
InChIInChI=1S/C12H14O3/c13-7-3-5-10(14)12-8-9-4-1-2-6-11(9)15-12/h1-2,4,6,8,10,13-14H,3,5,7H2/t10-/m1/s1
InChIKeySKRDPZZCIUYBSF-SNVBAGLBSA-N
MW206.24 g/mol
LogP2.24
Rot. Bonds4

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

(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol (PubChem CID 124681415) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (1R)-1-(1-benzofuran-2-yl)butane-1,4-diol.

Molecular Properties

Compound Name(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
PubChem CID124681415
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
SMILESOCCC[C@@H](O)c1cc2ccccc2o1
InChIInChI=1S/C12H14O3/c13-7-3-5-10(14)12-8-9-4-1-2-6-11(9)15-12/h1-2,4,6,8,10,13-14H,3,5,7H2/t10-/m1/s1
InChIKeySKRDPZZCIUYBSF-SNVBAGLBSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
CID 71150503
4-[2-[2-(1-benzofuran-2-yl)-2-hydroxyethoxy]phenyl]butan-1-ol
CID 19925662
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
CID 63017494
1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol
CID 65477865
[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium
CID 140776559
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-benzofuran-2-yl)butane-1,4-diol?
The IUPAC name of (1R)-1-(1-benzofuran-2-yl)butane-1,4-diol (CID 124681415) is (1R)-1-(1-benzofuran-2-yl)butane-1,4-diol.
What is the SMILES notation for (1R)-1-(1-benzofuran-2-yl)butane-1,4-diol?
The canonical SMILES for (1R)-1-(1-benzofuran-2-yl)butane-1,4-diol is OCCC[C@@H](O)c1cc2ccccc2o1.
What is the InChIKey of (1R)-1-(1-benzofuran-2-yl)butane-1,4-diol?
The InChIKey is SKRDPZZCIUYBSF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14O3/c13-7-3-5-10(14)12-8-9-4-1-2-6-11(9)15-12/h1-2,4,6,8,10,13-14H,3,5,7H2/t10-/m1/s1.
What are the key properties of (1R)-1-(1-benzofuran-2-yl)butane-1,4-diol?
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol has a molecular weight of 206.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-benzofuran-2-yl)butane-1,4-diol is sourced from PubChem (CID 124681415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).