5-butyl-4-fluoro-2-methylphenol

C11H15FO — CID 118092181

IUPAC5-butyl-4-fluoro-2-methylphenol
SMILESCCCCc1cc(O)c(C)cc1F
InChIInChI=1S/C11H15FO/c1-3-4-5-9-7-11(13)8(2)6-10(9)12/h6-7,13H,3-5H2,1-2H3
InChIKeyFQAWTUSSACYYQN-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.18
Rot. Bonds3

About 5-butyl-4-fluoro-2-methylphenol

5-butyl-4-fluoro-2-methylphenol (PubChem CID 118092181) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 5-butyl-4-fluoro-2-methylphenol.

Molecular Properties

Compound Name5-butyl-4-fluoro-2-methylphenol
PubChem CID118092181
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name5-butyl-4-fluoro-2-methylphenol
SMILESCCCCc1cc(O)c(C)cc1F
InChIInChI=1S/C11H15FO/c1-3-4-5-9-7-11(13)8(2)6-10(9)12/h6-7,13H,3-5H2,1-2H3
InChIKeyFQAWTUSSACYYQN-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-4-fluoro-2-methylphenol
CID 118092212
1,4-difluoro-2-methyl-5-pentylbenzene
CID 58718854
2,4-dimethyl-5-pentadecylphenol
CID 166008290
1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene
CID 59906802
5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol
CID 139628527
5-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-2-methylphenol
CID 105463039
5-butyl-2,3,4-trimethylphenol
CID 150949737
4-butyl-3,5-dipentylbenzene-1,2-diol
CID 87876480
4-butyl-2,5-difluoroaniline
CID 107616102
3-(2,5-difluoro-4-methylphenyl)propan-1-ol
CID 117280446
2-butyl-4-chlorophenol;4-chloro-2-methylphenol
CID 69346609
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-fluoro-2-methylphenol?
The IUPAC name of 5-butyl-4-fluoro-2-methylphenol (CID 118092181) is 5-butyl-4-fluoro-2-methylphenol.
What is the SMILES notation for 5-butyl-4-fluoro-2-methylphenol?
The canonical SMILES for 5-butyl-4-fluoro-2-methylphenol is CCCCc1cc(O)c(C)cc1F.
What is the InChIKey of 5-butyl-4-fluoro-2-methylphenol?
The InChIKey is FQAWTUSSACYYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-3-4-5-9-7-11(13)8(2)6-10(9)12/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 5-butyl-4-fluoro-2-methylphenol?
5-butyl-4-fluoro-2-methylphenol has a molecular weight of 182.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-fluoro-2-methylphenol is sourced from PubChem (CID 118092181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).