6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol

C16H24O2 — CID 79847464

IUPAC6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol
SMILESCc1ccc(OC2CCCC(C)(C)C2O)c(C)c1
InChIInChI=1S/C16H24O2/c1-11-7-8-13(12(2)10-11)18-14-6-5-9-16(3,4)15(14)17/h7-8,10,14-15,17H,5-6,9H2,1-4H3
InChIKeyLVUPZXXHOMHDEM-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.62
Rot. Bonds2

About 6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol

6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol (PubChem CID 79847464) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol
PubChem CID79847464
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol
SMILESCc1ccc(OC2CCCC(C)(C)C2O)c(C)c1
InChIInChI=1S/C16H24O2/c1-11-7-8-13(12(2)10-11)18-14-6-5-9-16(3,4)15(14)17/h7-8,10,14-15,17H,5-6,9H2,1-4H3
InChIKeyLVUPZXXHOMHDEM-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol (CID 79847464) is 6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol is Cc1ccc(OC2CCCC(C)(C)C2O)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is LVUPZXXHOMHDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-7-8-13(12(2)10-11)18-14-6-5-9-16(3,4)15(14)17/h7-8,10,14-15,17H,5-6,9H2,1-4H3.
What are the key properties of 6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol?
6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79847464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).