7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol

C15H20O3 — CID 79331887

IUPAC7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
SMILESCOc1cccc(C2(O)C3CCCCC32)c1OC
InChIInChI=1S/C15H20O3/c1-17-13-9-5-8-12(14(13)18-2)15(16)10-6-3-4-7-11(10)15/h5,8-11,16H,3-4,6-7H2,1-2H3
InChIKeyCKEYBQMJSZDBGG-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.71
Rot. Bonds3

About 7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol

7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79331887) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79331887
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol
SMILESCOc1cccc(C2(O)C3CCCCC32)c1OC
InChIInChI=1S/C15H20O3/c1-17-13-9-5-8-12(14(13)18-2)15(16)10-6-3-4-7-11(10)15/h5,8-11,16H,3-4,6-7H2,1-2H3
InChIKeyCKEYBQMJSZDBGG-UHFFFAOYSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol (CID 79331887) is 7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol is COc1cccc(C2(O)C3CCCCC32)c1OC.
What is the InChIKey of 7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is CKEYBQMJSZDBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-13-9-5-8-12(14(13)18-2)15(16)10-6-3-4-7-11(10)15/h5,8-11,16H,3-4,6-7H2,1-2H3.
What are the key properties of 7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol?
7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 248.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethoxyphenyl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79331887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).