(1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol

C8H14O2 — CID 11083994

IUPAC(1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol
SMILESO[C@@H]1OC[C@H]2CCCC[C@H]21
InChIInChI=1S/C8H14O2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-9H,1-5H2/t6-,7-,8-/m1/s1
InChIKeySBIFXVKAYSOREW-BWZBUEFSSA-N
MW142.20 g/mol
LogP1.14
Rot. Bonds

About (1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol

(1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol (PubChem CID 11083994) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol.

Molecular Properties

Compound Name(1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol
PubChem CID11083994
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol
SMILESO[C@@H]1OC[C@H]2CCCC[C@H]21
InChIInChI=1S/C8H14O2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-9H,1-5H2/t6-,7-,8-/m1/s1
InChIKeySBIFXVKAYSOREW-BWZBUEFSSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol?
The IUPAC name of (1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol (CID 11083994) is (1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol.
What is the SMILES notation for (1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol?
The canonical SMILES for (1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol is O[C@@H]1OC[C@H]2CCCC[C@H]21.
What is the InChIKey of (1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol?
The InChIKey is SBIFXVKAYSOREW-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H14O2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-9H,1-5H2/t6-,7-,8-/m1/s1.
What are the key properties of (1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol?
(1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol has a molecular weight of 142.20 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol is sourced from PubChem (CID 11083994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).