2-phenoxybicyclo[2.2.1]heptane

C13H16O — CID 12705513

IUPAC2-phenoxybicyclo[2.2.1]heptane
SMILESc1ccc(OC2CC3CCC2C3)cc1
InChIInChI=1S/C13H16O/c1-2-4-12(5-3-1)14-13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2
InChIKeyKCJZTLMEOYGMMO-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.25
Rot. Bonds2

About 2-phenoxybicyclo[2.2.1]heptane

2-phenoxybicyclo[2.2.1]heptane (PubChem CID 12705513) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-phenoxybicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-phenoxybicyclo[2.2.1]heptane
PubChem CID12705513
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-phenoxybicyclo[2.2.1]heptane
SMILESc1ccc(OC2CC3CCC2C3)cc1
InChIInChI=1S/C13H16O/c1-2-4-12(5-3-1)14-13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2
InChIKeyKCJZTLMEOYGMMO-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-phenoxybicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenoxybicyclo[2.2.1]heptane?
The IUPAC name of 2-phenoxybicyclo[2.2.1]heptane (CID 12705513) is 2-phenoxybicyclo[2.2.1]heptane.
What is the SMILES notation for 2-phenoxybicyclo[2.2.1]heptane?
The canonical SMILES for 2-phenoxybicyclo[2.2.1]heptane is c1ccc(OC2CC3CCC2C3)cc1.
What is the InChIKey of 2-phenoxybicyclo[2.2.1]heptane?
The InChIKey is KCJZTLMEOYGMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-4-12(5-3-1)14-13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2.
What are the key properties of 2-phenoxybicyclo[2.2.1]heptane?
2-phenoxybicyclo[2.2.1]heptane has a molecular weight of 188.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxybicyclo[2.2.1]heptane is sourced from PubChem (CID 12705513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).