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

C14H22O — CID 61088457

IUPAC1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1cc(C)ccc1C
InChIInChI=1S/C14H22O/c1-5-12(6-2)14(15)13-9-10(3)7-8-11(13)4/h7-9,12,14-15H,5-6H2,1-4H3
InChIKeyGMDXAODIMZFAGB-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.77
Rot. Bonds4

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

1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol (PubChem CID 61088457) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
PubChem CID61088457
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1cc(C)ccc1C
InChIInChI=1S/C14H22O/c1-5-12(6-2)14(15)13-9-10(3)7-8-11(13)4/h7-9,12,14-15H,5-6H2,1-4H3
InChIKeyGMDXAODIMZFAGB-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methylphenyl)-2-ethylbutan-1-ol
CID 115821957
1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol
CID 103459685
1-(2,5-dimethylphenyl)-2-ethoxybutan-1-ol
CID 116711234
1-(2,5-dimethylphenyl)-3-sulfanylpropane-1,2-diol
CID 170819432
2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol
CID 106790666
1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol
CID 163762352
1-(2,5-dimethylphenyl)butane-1,2,4-triol
CID 171871856
methyl 2-[(2,5-dimethylphenyl)-hydroxymethyl]butanoate
CID 62395439
2-(aminomethyl)-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 82891206
1-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103310547
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol
CID 63016045

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol (CID 61088457) is 1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol is CCC(CC)C(O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol?
The InChIKey is GMDXAODIMZFAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-12(6-2)14(15)13-9-10(3)7-8-11(13)4/h7-9,12,14-15H,5-6H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol?
1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 61088457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).