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

C14H22O — CID 63894692

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

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

1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol (PubChem CID 63894692) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol
PubChem CID63894692
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22O/c1-5-12(6-2)14(15)13-8-10(3)7-11(4)9-13/h7-9,12,14-15H,5-6H2,1-4H3
InChIKeyOYRHOPKDBLWSJY-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol (CID 63894692) is 1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol is CCC(CC)C(O)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol?
The InChIKey is OYRHOPKDBLWSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-12(6-2)14(15)13-8-10(3)7-11(4)9-13/h7-9,12,14-15H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol?
1-(3,5-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-(3,5-dimethylphenyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 63894692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).