1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol

C12H17FO — CID 83988226

IUPAC1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
SMILESCCCC(O)c1cc(C)c(C)cc1F
InChIInChI=1S/C12H17FO/c1-4-5-12(14)10-6-8(2)9(3)7-11(10)13/h6-7,12,14H,4-5H2,1-3H3
InChIKeyNUUARVCZOKSDHA-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.28
Rot. Bonds3

About 1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol

1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol (PubChem CID 83988226) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
PubChem CID83988226
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
SMILESCCCC(O)c1cc(C)c(C)cc1F
InChIInChI=1S/C12H17FO/c1-4-5-12(14)10-6-8(2)9(3)7-11(10)13/h6-7,12,14H,4-5H2,1-3H3
InChIKeyNUUARVCZOKSDHA-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
1-(2-bromo-4,5-dimethylphenyl)butan-1-ol
CID 83988264
1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol
CID 115788963
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
1-(2,4,5-trifluorophenyl)pentan-1-ol
CID 19885905
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol
CID 114753416
1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115783255
1-(2,4,5-trimethylphenyl)butane-1,4-diol
CID 82470579
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol
CID 115484513

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol?
The IUPAC name of 1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol (CID 83988226) is 1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol.
What is the SMILES notation for 1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol?
The canonical SMILES for 1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol is CCCC(O)c1cc(C)c(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol?
The InChIKey is NUUARVCZOKSDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-4-5-12(14)10-6-8(2)9(3)7-11(10)13/h6-7,12,14H,4-5H2,1-3H3.
What are the key properties of 1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol?
1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol has a molecular weight of 196.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 83988226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).