2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol

C15H22O2 — CID 79847908

IUPAC2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol
SMILESCc1ccccc1OC1CCCC(C)(C)C1O
InChIInChI=1S/C15H22O2/c1-11-7-4-5-8-12(11)17-13-9-6-10-15(2,3)14(13)16/h4-5,7-8,13-14,16H,6,9-10H2,1-3H3
InChIKeyOBQMFOLQXZGFIV-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.31
Rot. Bonds2

About 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol

2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol (PubChem CID 79847908) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol
PubChem CID79847908
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol
SMILESCc1ccccc1OC1CCCC(C)(C)C1O
InChIInChI=1S/C15H22O2/c1-11-7-4-5-8-12(11)17-13-9-6-10-15(2,3)14(13)16/h4-5,7-8,13-14,16H,6,9-10H2,1-3H3
InChIKeyOBQMFOLQXZGFIV-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol?
The IUPAC name of 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol (CID 79847908) is 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol?
The canonical SMILES for 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol is Cc1ccccc1OC1CCCC(C)(C)C1O.
What is the InChIKey of 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol?
The InChIKey is OBQMFOLQXZGFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-7-4-5-8-12(11)17-13-9-6-10-15(2,3)14(13)16/h4-5,7-8,13-14,16H,6,9-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol?
2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-ol is sourced from PubChem (CID 79847908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).