3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol

C11H14O2 — CID 14339272

IUPAC3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol
SMILESOC1CCCc2ccccc2OC1
InChIInChI=1S/C11H14O2/c12-10-6-3-5-9-4-1-2-7-11(9)13-8-10/h1-2,4,7,10,12H,3,5-6,8H2
InChIKeyRZSLSEMBQJHWNM-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.76
Rot. Bonds

About 3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol

3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol (PubChem CID 14339272) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol
PubChem CID14339272
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol
SMILESOC1CCCc2ccccc2OC1
InChIInChI=1S/C11H14O2/c12-10-6-3-5-9-4-1-2-7-11(9)13-8-10/h1-2,4,7,10,12H,3,5-6,8H2
InChIKeyRZSLSEMBQJHWNM-UHFFFAOYSA-N
XLogP1.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol?
The IUPAC name of 3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol (CID 14339272) is 3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol.
What is the SMILES notation for 3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol?
The canonical SMILES for 3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol is OC1CCCc2ccccc2OC1.
What is the InChIKey of 3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol?
The InChIKey is RZSLSEMBQJHWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-6-3-5-9-4-1-2-7-11(9)13-8-10/h1-2,4,7,10,12H,3,5-6,8H2.
What are the key properties of 3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol?
3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol has a molecular weight of 178.23 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol is sourced from PubChem (CID 14339272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).