2-(1-fluorobutyl)-5-methylphenol

C11H15FO — CID 90020134

IUPAC2-(1-fluorobutyl)-5-methylphenol
SMILESCCCC(F)c1ccc(C)cc1O
InChIInChI=1S/C11H15FO/c1-3-4-10(12)9-6-5-8(2)7-11(9)13/h5-7,10,13H,3-4H2,1-2H3
InChIKeyODQFLYRIAMHYAI-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.51
Rot. Bonds3

About 2-(1-fluorobutyl)-5-methylphenol

2-(1-fluorobutyl)-5-methylphenol (PubChem CID 90020134) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(1-fluorobutyl)-5-methylphenol.

Molecular Properties

Compound Name2-(1-fluorobutyl)-5-methylphenol
PubChem CID90020134
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name2-(1-fluorobutyl)-5-methylphenol
SMILESCCCC(F)c1ccc(C)cc1O
InChIInChI=1S/C11H15FO/c1-3-4-10(12)9-6-5-8(2)7-11(9)13/h5-7,10,13H,3-4H2,1-2H3
InChIKeyODQFLYRIAMHYAI-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S)-1-aminobutyl]-5-methylphenol;hydrochloride
CID 171232006
2-[(1S,2R)-1-amino-2-hydroxypentyl]-5-methylphenol;hydrochloride
CID 171270306
5-methyl-2-pentan-3-ylphenol
CID 67240040
2-[1-(hexan-2-ylamino)ethyl]-5-methylphenol
CID 62196420
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
2-[(1S)-1-amino-3,3-difluoropropyl]-5-methylphenol;hydrochloride
CID 171313260
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol
CID 96744848
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorobutyl)-5-methylphenol?
The IUPAC name of 2-(1-fluorobutyl)-5-methylphenol (CID 90020134) is 2-(1-fluorobutyl)-5-methylphenol.
What is the SMILES notation for 2-(1-fluorobutyl)-5-methylphenol?
The canonical SMILES for 2-(1-fluorobutyl)-5-methylphenol is CCCC(F)c1ccc(C)cc1O.
What is the InChIKey of 2-(1-fluorobutyl)-5-methylphenol?
The InChIKey is ODQFLYRIAMHYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-3-4-10(12)9-6-5-8(2)7-11(9)13/h5-7,10,13H,3-4H2,1-2H3.
What are the key properties of 2-(1-fluorobutyl)-5-methylphenol?
2-(1-fluorobutyl)-5-methylphenol has a molecular weight of 182.24 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorobutyl)-5-methylphenol is sourced from PubChem (CID 90020134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).