(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol

C11H14O3 — CID 134958179

IUPAC(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol
SMILESCC(C)(O)[C@H]1Oc2ccccc2[C@H]1O
InChIInChI=1S/C11H14O3/c1-11(2,13)10-9(12)7-5-3-4-6-8(7)14-10/h3-6,9-10,12-13H,1-2H3/t9-,10+/m1/s1
InChIKeyGYVYGJJGYPSOBF-ZJUUUORDSA-N
MW194.23 g/mol
LogP1.25
Rot. Bonds1

About (2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol

(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 134958179) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol
PubChem CID134958179
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol
SMILESCC(C)(O)[C@H]1Oc2ccccc2[C@H]1O
InChIInChI=1S/C11H14O3/c1-11(2,13)10-9(12)7-5-3-4-6-8(7)14-10/h3-6,9-10,12-13H,1-2H3/t9-,10+/m1/s1
InChIKeyGYVYGJJGYPSOBF-ZJUUUORDSA-N
XLogP1.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,3R)-3-hydroxy-2,3-dihydro-1-benzofuran-2-yl]propan-1-one
CID 71445172
(2R,3S,4R)-3-amino-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 11042883
(3S,4R)-3-methyl-4-(nitromethyl)-3,4-dihydro-2H-chromen-2-ol
CID 53359511
(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol
CID 164679988
(1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol
CID 139180489
(2R,3R)-3,4-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 11345419
1-[(2R,3R)-2-benzoyl-2,3-dihydro-1-benzofuran-3-yl]-3,3-dimethylbutan-2-one
CID 139192667
2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol
CID 84665334
2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid
CID 19098614
1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone
CID 130027655
ethane;2,2,3-trimethyl-3,4-dihydrochromen-4-ol
CID 90742078
2-(6H-benzo[b][1,4]benzodioxepin-6-yl)ethanol
CID 12805671

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of (2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol (CID 134958179) is (2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for (2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for (2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol is CC(C)(O)[C@H]1Oc2ccccc2[C@H]1O.
What is the InChIKey of (2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is GYVYGJJGYPSOBF-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2,13)10-9(12)7-5-3-4-6-8(7)14-10/h3-6,9-10,12-13H,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol?
(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 194.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 134958179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).