1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol

C16H26O2 — CID 116711445

IUPAC1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol
SMILESCCCC(OCC)C(O)Cc1cc(C)ccc1C
InChIInChI=1S/C16H26O2/c1-5-7-16(18-6-2)15(17)11-14-10-12(3)8-9-13(14)4/h8-10,15-17H,5-7,11H2,1-4H3
InChIKeyLMZKQGRAJGBJNX-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.41
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol

1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol (PubChem CID 116711445) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol
PubChem CID116711445
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol
SMILESCCCC(OCC)C(O)Cc1cc(C)ccc1C
InChIInChI=1S/C16H26O2/c1-5-7-16(18-6-2)15(17)11-14-10-12(3)8-9-13(14)4/h8-10,15-17H,5-7,11H2,1-4H3
InChIKeyLMZKQGRAJGBJNX-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol
CID 79496432
1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol
CID 63016045
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
CID 79616300
1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
CID 106867571
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
2-ethoxy-1-(4-methylphenyl)pentan-1-ol
CID 116711377
3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine
CID 116717547
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-one
CID 79496033
2-ethoxy-1-(3-methylphenyl)pentan-1-ol
CID 116711307
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine
CID 116717431
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol (CID 116711445) is 1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol is CCCC(OCC)C(O)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol?
The InChIKey is LMZKQGRAJGBJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-7-16(18-6-2)15(17)11-14-10-12(3)8-9-13(14)4/h8-10,15-17H,5-7,11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol?
1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol is sourced from PubChem (CID 116711445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).