(1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol

C8H8O3 — CID 45117222

IUPAC(1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol
SMILESO[C@@H]1O[C@H](O)c2ccccc21
InChIInChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7-10H/t7-,8+
InChIKeyAONGOYXHASSPAZ-OCAPTIKFSA-N
MW152.15 g/mol
LogP0.70
Rot. Bonds

About (1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol

(1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol (PubChem CID 45117222) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is (1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol.

Molecular Properties

Compound Name(1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol
PubChem CID45117222
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name(1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol
SMILESO[C@@H]1O[C@H](O)c2ccccc21
InChIInChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7-10H/t7-,8+
InChIKeyAONGOYXHASSPAZ-OCAPTIKFSA-N
XLogP0.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
methyl 2-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)prop-2-enoate
CID 15040467
3-[3-[dideuterio(hydroxy)methyl]but-3-enyl]-1,3-dihydro-2-benzofuran-1-ol
CID 10889484
2,3,4,5,6-pentafluoro-N-(3-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzamide
CID 13097835
1H-isochromen-1-ol
CID 69025900
(1R,3R)-3-(4-chlorophenyl)-3,4-dihydro-1H-isochromen-1-ol
CID 10706498
(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 12740385
(1R,8R,9R,11R)-10,12-dioxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 98543355
1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 14440163
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
(1S,3S)-2-chloro-2,3-dihydro-1H-indene-1,3-diol
CID 10511719
(1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 11231966

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol?
The IUPAC name of (1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol (CID 45117222) is (1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol.
What is the SMILES notation for (1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol?
The canonical SMILES for (1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol is O[C@@H]1O[C@H](O)c2ccccc21.
What is the InChIKey of (1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol?
The InChIKey is AONGOYXHASSPAZ-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7-10H/t7-,8+.
What are the key properties of (1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol?
(1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol has a molecular weight of 152.15 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-1,3-dihydro-2-benzofuran-1,3-diol is sourced from PubChem (CID 45117222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).