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

C13H17FO — CID 106880260

IUPAC1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
SMILESCc1cc(C)c(C(C)(O)C2CC2)c(F)c1
InChIInChI=1S/C13H17FO/c1-8-6-9(2)12(11(14)7-8)13(3,15)10-4-5-10/h6-7,10,15H,4-5H2,1-3H3
InChIKeyOWTWGOHGDRTYAU-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.06
Rot. Bonds2

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

1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol (PubChem CID 106880260) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
PubChem CID106880260
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
SMILESCc1cc(C)c(C(C)(O)C2CC2)c(F)c1
InChIInChI=1S/C13H17FO/c1-8-6-9(2)12(11(14)7-8)13(3,15)10-4-5-10/h6-7,10,15H,4-5H2,1-3H3
InChIKeyOWTWGOHGDRTYAU-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051318
(1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051317
1-(2-fluoro-4,6-dimethylphenyl)-1-(3-methylphenyl)ethanol
CID 106880244
1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol
CID 62801339
1-cyclopropyl-1-(3,4,5-trifluorophenyl)ethanol
CID 91655471
1-cyclopropyl-1-(3,4-difluorophenyl)ethanol
CID 62802186
2-[2-(2-fluoro-4,6-dimethylphenyl)propan-2-yl]-5-methylcyclohexan-1-one
CID 106882472
1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol
CID 106679767
1-cyclopropyl-1-(2,4-difluorophenyl)ethanol
CID 24749679
(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881648
2-[2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)propyl]piperidine
CID 106882953
1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)ethanol
CID 82302421

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The IUPAC name of 1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol (CID 106880260) is 1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol.
What is the SMILES notation for 1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The canonical SMILES for 1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol is Cc1cc(C)c(C(C)(O)C2CC2)c(F)c1.
What is the InChIKey of 1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
The InChIKey is OWTWGOHGDRTYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-8-6-9(2)12(11(14)7-8)13(3,15)10-4-5-10/h6-7,10,15H,4-5H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol?
1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol has a molecular weight of 208.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol is sourced from PubChem (CID 106880260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).