2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol

C13H17FO — CID 81416761

IUPAC2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol
SMILESCCC1C(O)CC1c1ccc(F)c(C)c1
InChIInChI=1S/C13H17FO/c1-3-10-11(7-13(10)15)9-4-5-12(14)8(2)6-9/h4-6,10-11,13,15H,3,7H2,1-2H3
InChIKeyQYOKUUFZFAQVSB-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.01
Rot. Bonds2

About 2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol

2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol (PubChem CID 81416761) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol
PubChem CID81416761
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol
SMILESCCC1C(O)CC1c1ccc(F)c(C)c1
InChIInChI=1S/C13H17FO/c1-3-10-11(7-13(10)15)9-4-5-12(14)8(2)6-9/h4-6,10-11,13,15H,3,7H2,1-2H3
InChIKeyQYOKUUFZFAQVSB-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol?
The IUPAC name of 2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol (CID 81416761) is 2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol?
The canonical SMILES for 2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol is CCC1C(O)CC1c1ccc(F)c(C)c1.
What is the InChIKey of 2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol?
The InChIKey is QYOKUUFZFAQVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-3-10-11(7-13(10)15)9-4-5-12(14)8(2)6-9/h4-6,10-11,13,15H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol?
2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol has a molecular weight of 208.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 81416761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).