6-(2,6-dimethylphenoxy)hexan-3-ol

C14H22O2 — CID 106802636

IUPAC6-(2,6-dimethylphenoxy)hexan-3-ol
SMILESCCC(O)CCCOc1c(C)cccc1C
InChIInChI=1S/C14H22O2/c1-4-13(15)9-6-10-16-14-11(2)7-5-8-12(14)3/h5,7-8,13,15H,4,6,9-10H2,1-3H3
InChIKeyXOVXNURLVQSFPG-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.23
Rot. Bonds6

About 6-(2,6-dimethylphenoxy)hexan-3-ol

6-(2,6-dimethylphenoxy)hexan-3-ol (PubChem CID 106802636) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-(2,6-dimethylphenoxy)hexan-3-ol.

Molecular Properties

Compound Name6-(2,6-dimethylphenoxy)hexan-3-ol
PubChem CID106802636
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name6-(2,6-dimethylphenoxy)hexan-3-ol
SMILESCCC(O)CCCOc1c(C)cccc1C
InChIInChI=1S/C14H22O2/c1-4-13(15)9-6-10-16-14-11(2)7-5-8-12(14)3/h5,7-8,13,15H,4,6,9-10H2,1-3H3
InChIKeyXOVXNURLVQSFPG-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-2-propoxybenzene
CID 579040
4-amino-9-(2,6-dimethylphenoxy)-1-[2-(2,6-dimethylphenoxy)ethylamino]nonane-2,6-diol
CID 90882834
6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
2-decoxy-1,3-dimethylbenzene
CID 83057478
3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol
CID 116693276
6-(2-methylphenyl)hexan-3-ol
CID 64514172
2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene
CID 63628446
6-(3-tert-butylphenoxy)hexan-3-ol
CID 106802689
6-anilinooxyhexan-3-ol
CID 21497197
6-[2-[2-(4-hydroxyhexoxy)phenyl]sulfonylphenoxy]hexan-3-ol
CID 68780789
dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane
CID 163214352

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenoxy)hexan-3-ol?
The IUPAC name of 6-(2,6-dimethylphenoxy)hexan-3-ol (CID 106802636) is 6-(2,6-dimethylphenoxy)hexan-3-ol.
What is the SMILES notation for 6-(2,6-dimethylphenoxy)hexan-3-ol?
The canonical SMILES for 6-(2,6-dimethylphenoxy)hexan-3-ol is CCC(O)CCCOc1c(C)cccc1C.
What is the InChIKey of 6-(2,6-dimethylphenoxy)hexan-3-ol?
The InChIKey is XOVXNURLVQSFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-13(15)9-6-10-16-14-11(2)7-5-8-12(14)3/h5,7-8,13,15H,4,6,9-10H2,1-3H3.
What are the key properties of 6-(2,6-dimethylphenoxy)hexan-3-ol?
6-(2,6-dimethylphenoxy)hexan-3-ol has a molecular weight of 222.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenoxy)hexan-3-ol is sourced from PubChem (CID 106802636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).