1-(2,4-dimethylphenyl)pentane-1,2-diol

C13H20O2 — CID 103454853

IUPAC1-(2,4-dimethylphenyl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1ccc(C)cc1C
InChIInChI=1S/C13H20O2/c1-4-5-12(14)13(15)11-7-6-9(2)8-10(11)3/h6-8,12-15H,4-5H2,1-3H3
InChIKeyHEZSYIJULSHNOR-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.50
Rot. Bonds4

About 1-(2,4-dimethylphenyl)pentane-1,2-diol

1-(2,4-dimethylphenyl)pentane-1,2-diol (PubChem CID 103454853) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)pentane-1,2-diol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)pentane-1,2-diol
PubChem CID103454853
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2,4-dimethylphenyl)pentane-1,2-diol
SMILESCCCC(O)C(O)c1ccc(C)cc1C
InChIInChI=1S/C13H20O2/c1-4-5-12(14)13(15)11-7-6-9(2)8-10(11)3/h6-8,12-15H,4-5H2,1-3H3
InChIKeyHEZSYIJULSHNOR-UHFFFAOYSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)hexan-3-ol
CID 83050609
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol
CID 103459685
1-(2,5-dimethylphenyl)butane-1,2,4-triol
CID 171871856
ethyl 3-(2,4-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171865672
5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
(1R,2S)-1-(2,4-dimethylphenyl)-2-nitropropan-1-ol
CID 101455721
1-(2,4-difluorophenyl)pentane-1,2-diol
CID 103455031
2-[(1S,2R)-1-amino-2-hydroxypentyl]-5-methylphenol;hydrochloride
CID 171270306
2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol
CID 82313534
ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate
CID 66206133

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)pentane-1,2-diol?
The IUPAC name of 1-(2,4-dimethylphenyl)pentane-1,2-diol (CID 103454853) is 1-(2,4-dimethylphenyl)pentane-1,2-diol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)pentane-1,2-diol?
The canonical SMILES for 1-(2,4-dimethylphenyl)pentane-1,2-diol is CCCC(O)C(O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)pentane-1,2-diol?
The InChIKey is HEZSYIJULSHNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-5-12(14)13(15)11-7-6-9(2)8-10(11)3/h6-8,12-15H,4-5H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)pentane-1,2-diol?
1-(2,4-dimethylphenyl)pentane-1,2-diol has a molecular weight of 208.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)pentane-1,2-diol is sourced from PubChem (CID 103454853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).