2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol

C15H22O — CID 81415590

IUPAC2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol
SMILESCCC1C(O)CC1c1c(C)cc(C)cc1C
InChIInChI=1S/C15H22O/c1-5-12-13(8-14(12)16)15-10(3)6-9(2)7-11(15)4/h6-7,12-14,16H,5,8H2,1-4H3
InChIKeyFLJWXTKHIUNTJJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.49
Rot. Bonds2

About 2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol

2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol (PubChem CID 81415590) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol
PubChem CID81415590
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol
SMILESCCC1C(O)CC1c1c(C)cc(C)cc1C
InChIInChI=1S/C15H22O/c1-5-12-13(8-14(12)16)15-10(3)6-9(2)7-11(15)4/h6-7,12-14,16H,5,8H2,1-4H3
InChIKeyFLJWXTKHIUNTJJ-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol?
The IUPAC name of 2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol (CID 81415590) is 2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol?
The canonical SMILES for 2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol is CCC1C(O)CC1c1c(C)cc(C)cc1C.
What is the InChIKey of 2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol?
The InChIKey is FLJWXTKHIUNTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-12-13(8-14(12)16)15-10(3)6-9(2)7-11(15)4/h6-7,12-14,16H,5,8H2,1-4H3.
What are the key properties of 2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol?
2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 81415590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).