2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol

C13H16O2 — CID 68583650

IUPAC2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol
SMILESOCC1Cc2ccc3c(c2O1)CCCC3
InChIInChI=1S/C13H16O2/c14-8-11-7-10-6-5-9-3-1-2-4-12(9)13(10)15-11/h5-6,11,14H,1-4,7-8H2
InChIKeyBYLJKAAXLLDDLO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.86
Rot. Bonds1

About 2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol

2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol (PubChem CID 68583650) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol.

Molecular Properties

Compound Name2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol
PubChem CID68583650
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol
SMILESOCC1Cc2ccc3c(c2O1)CCCC3
InChIInChI=1S/C13H16O2/c14-8-11-7-10-6-5-9-3-1-2-4-12(9)13(10)15-11/h5-6,11,14H,1-4,7-8H2
InChIKeyBYLJKAAXLLDDLO-UHFFFAOYSA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol?
The IUPAC name of 2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol (CID 68583650) is 2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol.
What is the SMILES notation for 2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol?
The canonical SMILES for 2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol is OCC1Cc2ccc3c(c2O1)CCCC3.
What is the InChIKey of 2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol?
The InChIKey is BYLJKAAXLLDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-8-11-7-10-6-5-9-3-1-2-4-12(9)13(10)15-11/h5-6,11,14H,1-4,7-8H2.
What are the key properties of 2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol?
2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol has a molecular weight of 204.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethanol is sourced from PubChem (CID 68583650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).