2-phenylbicyclo[2.2.1]heptane-2,5-diol

C13H16O2 — CID 59556115

IUPAC2-phenylbicyclo[2.2.1]heptane-2,5-diol
SMILESOC1CC2CC1CC2(O)c1ccccc1
InChIInChI=1S/C13H16O2/c14-12-7-11-6-9(12)8-13(11,15)10-4-2-1-3-5-10/h1-5,9,11-12,14-15H,6-8H2
InChIKeyJUIPGCXELPIYJO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.66
Rot. Bonds1

About 2-phenylbicyclo[2.2.1]heptane-2,5-diol

2-phenylbicyclo[2.2.1]heptane-2,5-diol (PubChem CID 59556115) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-phenylbicyclo[2.2.1]heptane-2,5-diol.

Molecular Properties

Compound Name2-phenylbicyclo[2.2.1]heptane-2,5-diol
PubChem CID59556115
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-phenylbicyclo[2.2.1]heptane-2,5-diol
SMILESOC1CC2CC1CC2(O)c1ccccc1
InChIInChI=1S/C13H16O2/c14-12-7-11-6-9(12)8-13(11,15)10-4-2-1-3-5-10/h1-5,9,11-12,14-15H,6-8H2
InChIKeyJUIPGCXELPIYJO-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylbicyclo[2.2.1]heptane-2,5-diol?
The IUPAC name of 2-phenylbicyclo[2.2.1]heptane-2,5-diol (CID 59556115) is 2-phenylbicyclo[2.2.1]heptane-2,5-diol.
What is the SMILES notation for 2-phenylbicyclo[2.2.1]heptane-2,5-diol?
The canonical SMILES for 2-phenylbicyclo[2.2.1]heptane-2,5-diol is OC1CC2CC1CC2(O)c1ccccc1.
What is the InChIKey of 2-phenylbicyclo[2.2.1]heptane-2,5-diol?
The InChIKey is JUIPGCXELPIYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-12-7-11-6-9(12)8-13(11,15)10-4-2-1-3-5-10/h1-5,9,11-12,14-15H,6-8H2.
What are the key properties of 2-phenylbicyclo[2.2.1]heptane-2,5-diol?
2-phenylbicyclo[2.2.1]heptane-2,5-diol has a molecular weight of 204.27 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbicyclo[2.2.1]heptane-2,5-diol is sourced from PubChem (CID 59556115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).