5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol

C15H22O2 — CID 79857169

IUPAC5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol
SMILESCc1ccc(C)c(OC2CCC(C)(C)C2O)c1
InChIInChI=1S/C15H22O2/c1-10-5-6-11(2)13(9-10)17-12-7-8-15(3,4)14(12)16/h5-6,9,12,14,16H,7-8H2,1-4H3
InChIKeyRAWSLRAIHLUUSP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.23
Rot. Bonds2

About 5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol

5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol (PubChem CID 79857169) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol
PubChem CID79857169
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol
SMILESCc1ccc(C)c(OC2CCC(C)(C)C2O)c1
InChIInChI=1S/C15H22O2/c1-10-5-6-11(2)13(9-10)17-12-7-8-15(3,4)14(12)16/h5-6,9,12,14,16H,7-8H2,1-4H3
InChIKeyRAWSLRAIHLUUSP-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol 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 5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol (CID 79857169) is 5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol is Cc1ccc(C)c(OC2CCC(C)(C)C2O)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol?
The InChIKey is RAWSLRAIHLUUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-5-6-11(2)13(9-10)17-12-7-8-15(3,4)14(12)16/h5-6,9,12,14,16H,7-8H2,1-4H3.
What are the key properties of 5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol?
5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79857169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).