2-(2,5-dimethylphenyl)hexan-3-ol

C14H22O — CID 83050609

IUPAC2-(2,5-dimethylphenyl)hexan-3-ol
SMILESCCCC(O)C(C)c1cc(C)ccc1C
InChIInChI=1S/C14H22O/c1-5-6-14(15)12(4)13-9-10(2)7-8-11(13)3/h7-9,12,14-15H,5-6H2,1-4H3
InChIKeyJQAQWRWJXMMLQJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.57
Rot. Bonds4

About 2-(2,5-dimethylphenyl)hexan-3-ol

2-(2,5-dimethylphenyl)hexan-3-ol (PubChem CID 83050609) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)hexan-3-ol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)hexan-3-ol
PubChem CID83050609
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-(2,5-dimethylphenyl)hexan-3-ol
SMILESCCCC(O)C(C)c1cc(C)ccc1C
InChIInChI=1S/C14H22O/c1-5-6-14(15)12(4)13-9-10(2)7-8-11(13)3/h7-9,12,14-15H,5-6H2,1-4H3
InChIKeyJQAQWRWJXMMLQJ-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)pentane-1,2-diol
CID 103454853
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
1-(2,5-dimethylphenyl)butane-1,2,4-triol
CID 171871856
2-(4-bromo-3-methylbutan-2-yl)-1,4-dimethylbenzene
CID 83928097
1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
2-(2-methoxy-5-methylphenyl)octane-4,5-diol
CID 83933104
1-(2,5-dimethylphenyl)-3-sulfanylpropane-1,2-diol
CID 170819432
1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol
CID 115729117
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
1-(2,5-dimethylphenyl)-N-methylpentan-1-amine
CID 43483753
1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
CID 105083992
1,4-dimethyl-2-(1-propoxyethyl)benzene
CID 57176730

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)hexan-3-ol?
The IUPAC name of 2-(2,5-dimethylphenyl)hexan-3-ol (CID 83050609) is 2-(2,5-dimethylphenyl)hexan-3-ol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)hexan-3-ol?
The canonical SMILES for 2-(2,5-dimethylphenyl)hexan-3-ol is CCCC(O)C(C)c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)hexan-3-ol?
The InChIKey is JQAQWRWJXMMLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-6-14(15)12(4)13-9-10(2)7-8-11(13)3/h7-9,12,14-15H,5-6H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)hexan-3-ol?
2-(2,5-dimethylphenyl)hexan-3-ol has a molecular weight of 206.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)hexan-3-ol is sourced from PubChem (CID 83050609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).