1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol

C14H22O2 — CID 116711234

IUPAC1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol
SMILESCCOC(CC)C(O)c1cc(C)ccc1C
InChIInChI=1S/C14H22O2/c1-5-13(16-6-2)14(15)12-9-10(3)7-8-11(12)4/h7-9,13-15H,5-6H2,1-4H3
InChIKeyLLQREJYITYBHBJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.15
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol

1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol (PubChem CID 116711234) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol
PubChem CID116711234
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol
SMILESCCOC(CC)C(O)c1cc(C)ccc1C
InChIInChI=1S/C14H22O2/c1-5-13(16-6-2)14(15)12-9-10(3)7-8-11(12)4/h7-9,13-15H,5-6H2,1-4H3
InChIKeyLLQREJYITYBHBJ-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
2-cyclopropyl-1-(2,5-dimethylphenyl)-2-ethoxyethanol
CID 116712968
2-cyclohexyl-1-(2,5-dimethylphenyl)-2-ethoxyethanol
CID 116756745
methyl 2-[(2,5-dimethylphenyl)-hydroxymethyl]butanoate
CID 62395439
1-(2,5-dimethylphenyl)-3-sulfanylpropane-1,2-diol
CID 170819432
1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine
CID 116715174
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069
1,4-dimethyl-2-(1-propoxyethyl)benzene
CID 57176730
1-(2,5-dimethylphenyl)butane-1,2,4-triol
CID 171871856
1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol
CID 116711445
1-(2-chloro-4-methylphenyl)-3-ethoxypentan-2-ol
CID 106867571

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol (CID 116711234) is 1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol is CCOC(CC)C(O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol?
The InChIKey is LLQREJYITYBHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-13(16-6-2)14(15)12-9-10(3)7-8-11(12)4/h7-9,13-15H,5-6H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol?
1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol is sourced from PubChem (CID 116711234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).