1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol

C8H14O2 — CID 14062933

IUPAC1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol
SMILESOC1CCC2COCC2C1
InChIInChI=1S/C8H14O2/c9-8-2-1-6-4-10-5-7(6)3-8/h6-9H,1-5H2
InChIKeyVLYLJQYHYLLEQW-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.79
Rot. Bonds

About 1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol

1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol (PubChem CID 14062933) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol.

Molecular Properties

Compound Name1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol
PubChem CID14062933
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol
SMILESOC1CCC2COCC2C1
InChIInChI=1S/C8H14O2/c9-8-2-1-6-4-10-5-7(6)3-8/h6-9H,1-5H2
InChIKeyVLYLJQYHYLLEQW-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3a,4,5,6,7,7a-Octahydro-2-benzofuran-5,6-diol
CID 345947
2,3,3a,4,5,6,7,7a-Octahydro-1-benzofuran-4-ol
CID 12045258
2,3,3a,4,5,6,7,7a-Octahydro-1-benzofuran-5-ol
CID 83479158
[(1S,3S,4R,6R)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-3-yl]methanol
CID 130841928
(1R,2S,4S,5S)-2-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol
CID 130842948
4-Methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5,6-diol
CID 290666
(3R,3aR,5S,6R,7aR)-3,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-5-ol
CID 15109200
4,5-Di(hydroxymethyl)cyclohexene oxide
CID 18506417
(3aS,4S,7aR)-Octahydrobenzofuran-4-ol
CID 50941387
2-(Hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol
CID 57700962
(7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-ol
CID 68282371
2-[(3R)-2-methyl-5-(2-methylcyclohexyl)oxolan-3-yl]ethanol
CID 70985802

Frequently Asked Questions

What is the IUPAC name of 1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol?
The IUPAC name of 1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol (CID 14062933) is 1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol.
What is the SMILES notation for 1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol?
The canonical SMILES for 1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol is OC1CCC2COCC2C1.
What is the InChIKey of 1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol?
The InChIKey is VLYLJQYHYLLEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-8-2-1-6-4-10-5-7(6)3-8/h6-9H,1-5H2.
What are the key properties of 1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol?
1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol has a molecular weight of 142.20 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-ol is sourced from PubChem (CID 14062933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).