2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol

C16H20O2 — CID 7387669

IUPAC2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
SMILESCC1=C[C@@H](C)[C@@H]2CO[C@@H](c3ccccc3O)[C@@H]1C2
InChIInChI=1S/C16H20O2/c1-10-7-11(2)14-8-12(10)9-18-16(14)13-5-3-4-6-15(13)17/h3-7,10,12,14,16-17H,8-9H2,1-2H3/t10-,12+,14-,16+/m1/s1
InChIKeyDWGYRUDDSQAWEA-FTYZYXLQSA-N
MW244.33 g/mol
LogP3.68
Rot. Bonds1

About 2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol

2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol (PubChem CID 7387669) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol.

Molecular Properties

Compound Name2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
PubChem CID7387669
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
SMILESCC1=C[C@@H](C)[C@@H]2CO[C@@H](c3ccccc3O)[C@@H]1C2
InChIInChI=1S/C16H20O2/c1-10-7-11(2)14-8-12(10)9-18-16(14)13-5-3-4-6-15(13)17/h3-7,10,12,14,16-17H,8-9H2,1-2H3/t10-,12+,14-,16+/m1/s1
InChIKeyDWGYRUDDSQAWEA-FTYZYXLQSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol?
The IUPAC name of 2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol (CID 7387669) is 2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol.
What is the SMILES notation for 2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol?
The canonical SMILES for 2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol is CC1=C[C@@H](C)[C@@H]2CO[C@@H](c3ccccc3O)[C@@H]1C2.
What is the InChIKey of 2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol?
The InChIKey is DWGYRUDDSQAWEA-FTYZYXLQSA-N. The full InChI is InChI=1S/C16H20O2/c1-10-7-11(2)14-8-12(10)9-18-16(14)13-5-3-4-6-15(13)17/h3-7,10,12,14,16-17H,8-9H2,1-2H3/t10-,12+,14-,16+/m1/s1.
What are the key properties of 2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol?
2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol has a molecular weight of 244.33 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,5R,6R)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol is sourced from PubChem (CID 7387669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).