7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol

C15H20O — CID 79332096

IUPAC7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol
SMILESCc1cc(C)cc(C2(O)C3CCCCC32)c1
InChIInChI=1S/C15H20O/c1-10-7-11(2)9-12(8-10)15(16)13-5-3-4-6-14(13)15/h7-9,13-14,16H,3-6H2,1-2H3
InChIKeyARINOLYFZNTZRM-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.31
Rot. Bonds1

About 7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol

7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79332096) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79332096
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol
SMILESCc1cc(C)cc(C2(O)C3CCCCC32)c1
InChIInChI=1S/C15H20O/c1-10-7-11(2)9-12(8-10)15(16)13-5-3-4-6-14(13)15/h7-9,13-14,16H,3-6H2,1-2H3
InChIKeyARINOLYFZNTZRM-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol (CID 79332096) is 7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol is Cc1cc(C)cc(C2(O)C3CCCCC32)c1.
What is the InChIKey of 7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is ARINOLYFZNTZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10-7-11(2)9-12(8-10)15(16)13-5-3-4-6-14(13)15/h7-9,13-14,16H,3-6H2,1-2H3.
What are the key properties of 7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol?
7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 216.32 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylphenyl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79332096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).