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

C16H26O2 — CID 116752542

IUPAC1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol
SMILESCCOC(CC)(CC)C(O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H26O2/c1-6-16(7-2,18-8-3)15(17)14-10-12(4)9-13(5)11-14/h9-11,15,17H,6-8H2,1-5H3
InChIKeyHQZRKAVMUHKXJZ-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.93
Rot. Bonds6

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

1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol (PubChem CID 116752542) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol
PubChem CID116752542
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol
SMILESCCOC(CC)(CC)C(O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H26O2/c1-6-16(7-2,18-8-3)15(17)14-10-12(4)9-13(5)11-14/h9-11,15,17H,6-8H2,1-5H3
InChIKeyHQZRKAVMUHKXJZ-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol (CID 116752542) is 1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol is CCOC(CC)(CC)C(O)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol?
The InChIKey is HQZRKAVMUHKXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-16(7-2,18-8-3)15(17)14-10-12(4)9-13(5)11-14/h9-11,15,17H,6-8H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol?
1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol is sourced from PubChem (CID 116752542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).