3-(3-fluorobutyl)phenol

C10H13FO — CID 84653086

IUPAC3-(3-fluorobutyl)phenol
SMILESCC(F)CCc1cccc(O)c1
InChIInChI=1S/C10H13FO/c1-8(11)5-6-9-3-2-4-10(12)7-9/h2-4,7-8,12H,5-6H2,1H3
InChIKeyASAOMZTVSVKLRA-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.68
Rot. Bonds3

About 3-(3-fluorobutyl)phenol

3-(3-fluorobutyl)phenol (PubChem CID 84653086) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 3-(3-fluorobutyl)phenol.

Molecular Properties

Compound Name3-(3-fluorobutyl)phenol
PubChem CID84653086
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name3-(3-fluorobutyl)phenol
SMILESCC(F)CCc1cccc(O)c1
InChIInChI=1S/C10H13FO/c1-8(11)5-6-9-3-2-4-10(12)7-9/h2-4,7-8,12H,5-6H2,1H3
InChIKeyASAOMZTVSVKLRA-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-hydroxypentyl)phenol
CID 21193621
1-bromo-3-(3-fluorobutyl)benzene
CID 84694256
4-(3-hydroxyphenyl)butan-2-yl-trimethylazanium iodide
CID 3026690
3-[4-amino-3-(aminomethyl)butyl]phenol
CID 83930255
3-[3-hydroxy-4-(methylamino)butyl]phenol
CID 174708879
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
CID 167492179
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
3-(3-fluorobutoxy)phenol
CID 84659596
3-(2-sulfanylpropyl)phenol
CID 115013475
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorobutyl)phenol?
The IUPAC name of 3-(3-fluorobutyl)phenol (CID 84653086) is 3-(3-fluorobutyl)phenol.
What is the SMILES notation for 3-(3-fluorobutyl)phenol?
The canonical SMILES for 3-(3-fluorobutyl)phenol is CC(F)CCc1cccc(O)c1.
What is the InChIKey of 3-(3-fluorobutyl)phenol?
The InChIKey is ASAOMZTVSVKLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-8(11)5-6-9-3-2-4-10(12)7-9/h2-4,7-8,12H,5-6H2,1H3.
What are the key properties of 3-(3-fluorobutyl)phenol?
3-(3-fluorobutyl)phenol has a molecular weight of 168.21 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorobutyl)phenol is sourced from PubChem (CID 84653086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).