5-phenylbicyclo[2.2.1]heptan-2-ol

C13H16O — CID 130124993

IUPAC5-phenylbicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC1CC2c1ccccc1
InChIInChI=1S/C13H16O/c14-13-8-10-6-11(13)7-12(10)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKeyOMPMFVKJXHMNPB-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.56
Rot. Bonds1

About 5-phenylbicyclo[2.2.1]heptan-2-ol

5-phenylbicyclo[2.2.1]heptan-2-ol (PubChem CID 130124993) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-phenylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name5-phenylbicyclo[2.2.1]heptan-2-ol
PubChem CID130124993
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name5-phenylbicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC1CC2c1ccccc1
InChIInChI=1S/C13H16O/c14-13-8-10-6-11(13)7-12(10)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKeyOMPMFVKJXHMNPB-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 5-phenylbicyclo[2.2.1]heptan-2-ol (CID 130124993) is 5-phenylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 5-phenylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 5-phenylbicyclo[2.2.1]heptan-2-ol is OC1CC2CC1CC2c1ccccc1.
What is the InChIKey of 5-phenylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is OMPMFVKJXHMNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c14-13-8-10-6-11(13)7-12(10)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2.
What are the key properties of 5-phenylbicyclo[2.2.1]heptan-2-ol?
5-phenylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 130124993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).