2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol

C16H20O2 — CID 125499572

IUPAC2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol
SMILESOc1ccccc1O[C@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21
InChIInChI=1S/C16H20O2/c17-14-6-1-2-7-15(14)18-16-9-10-8-13(16)12-5-3-4-11(10)12/h1-2,6-7,10-13,16-17H,3-5,8-9H2/t10-,11+,12+,13-,16-/m0/s1
InChIKeyQVXMUEOJMOBKRV-ZWEPEPIOSA-N
MW244.33 g/mol
LogP3.60
Rot. Bonds2

About 2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol

2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol (PubChem CID 125499572) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol.

Molecular Properties

Compound Name2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol
PubChem CID125499572
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol
SMILESOc1ccccc1O[C@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21
InChIInChI=1S/C16H20O2/c17-14-6-1-2-7-15(14)18-16-9-10-8-13(16)12-5-3-4-11(10)12/h1-2,6-7,10-13,16-17H,3-5,8-9H2/t10-,11+,12+,13-,16-/m0/s1
InChIKeyQVXMUEOJMOBKRV-ZWEPEPIOSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol 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-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol?
The IUPAC name of 2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol (CID 125499572) is 2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol.
What is the SMILES notation for 2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol?
The canonical SMILES for 2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol is Oc1ccccc1O[C@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21.
What is the InChIKey of 2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol?
The InChIKey is QVXMUEOJMOBKRV-ZWEPEPIOSA-N. The full InChI is InChI=1S/C16H20O2/c17-14-6-1-2-7-15(14)18-16-9-10-8-13(16)12-5-3-4-11(10)12/h1-2,6-7,10-13,16-17H,3-5,8-9H2/t10-,11+,12+,13-,16-/m0/s1.
What are the key properties of 2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol?
2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol has a molecular weight of 244.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol is sourced from PubChem (CID 125499572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).