2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol

C14H19FO — CID 106879534

IUPAC2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol
SMILESCc1cc(F)cc(C)c1C(O)CC1CCC1
InChIInChI=1S/C14H19FO/c1-9-6-12(15)7-10(2)14(9)13(16)8-11-4-3-5-11/h6-7,11,13,16H,3-5,8H2,1-2H3
InChIKeyCABVNDOAKMOYEK-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.67
Rot. Bonds3

About 2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol

2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol (PubChem CID 106879534) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol
PubChem CID106879534
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol
SMILESCc1cc(F)cc(C)c1C(O)CC1CCC1
InChIInChI=1S/C14H19FO/c1-9-6-12(15)7-10(2)14(9)13(16)8-11-4-3-5-11/h6-7,11,13,16H,3-5,8H2,1-2H3
InChIKeyCABVNDOAKMOYEK-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 3338
2-Methylbenzyl alcohol
CID 6994
3,4-Dimethylbenzyl alcohol
CID 23407
Bay 27-9955
CID 5311277
2,4-Dimethylbenzyl alcohol
CID 27809
2,4,6-Trimethylbenzyl alcohol
CID 20139
fenipentol, (S)-
CID 6992754
3,5-Dimethylbenzyl alcohol
CID 33706
2-Fluoro-1-phenylethan-1-ol
CID 9946
5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro-
CID 37171
1-(4-Fluorophenyl)ethanol
CID 73946
(2,3-Dimethylphenyl)methanol
CID 96208

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol (CID 106879534) is 2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol is Cc1cc(F)cc(C)c1C(O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol?
The InChIKey is CABVNDOAKMOYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-9-6-12(15)7-10(2)14(9)13(16)8-11-4-3-5-11/h6-7,11,13,16H,3-5,8H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol?
2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol has a molecular weight of 222.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(4-fluoro-2,6-dimethylphenyl)ethanol is sourced from PubChem (CID 106879534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).