3-(3-fluorobutoxy)phenol

C10H13FO2 — CID 84659596

IUPAC3-(3-fluorobutoxy)phenol
SMILESCC(F)CCOc1cccc(O)c1
InChIInChI=1S/C10H13FO2/c1-8(11)5-6-13-10-4-2-3-9(12)7-10/h2-4,7-8,12H,5-6H2,1H3
InChIKeyIXDYEMFGWIPGGD-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.52
Rot. Bonds4

About 3-(3-fluorobutoxy)phenol

3-(3-fluorobutoxy)phenol (PubChem CID 84659596) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 3-(3-fluorobutoxy)phenol.

Molecular Properties

Compound Name3-(3-fluorobutoxy)phenol
PubChem CID84659596
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name3-(3-fluorobutoxy)phenol
SMILESCC(F)CCOc1cccc(O)c1
InChIInChI=1S/C10H13FO2/c1-8(11)5-6-13-10-4-2-3-9(12)7-10/h2-4,7-8,12H,5-6H2,1H3
InChIKeyIXDYEMFGWIPGGD-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoropropoxy)phenol
CID 84653742
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
3-[2-(methylamino)ethoxy]phenol
CID 83619980
3-dodecoxyphenol
CID 15719132
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
3-(3-fluorobutyl)phenol
CID 84653086
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
3-(1-fluorobutoxy)phenol
CID 174949464
3-(2-ethylsulfonylethoxy)phenol
CID 43808006
3-(3-methoxy-3-methylbutoxy)phenol
CID 59527181
3-(5,6-dichlorohexoxy)phenol
CID 54471375
3-(3-hydroxyphenoxy)propanal
CID 84765037

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorobutoxy)phenol?
The IUPAC name of 3-(3-fluorobutoxy)phenol (CID 84659596) is 3-(3-fluorobutoxy)phenol.
What is the SMILES notation for 3-(3-fluorobutoxy)phenol?
The canonical SMILES for 3-(3-fluorobutoxy)phenol is CC(F)CCOc1cccc(O)c1.
What is the InChIKey of 3-(3-fluorobutoxy)phenol?
The InChIKey is IXDYEMFGWIPGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-8(11)5-6-13-10-4-2-3-9(12)7-10/h2-4,7-8,12H,5-6H2,1H3.
What are the key properties of 3-(3-fluorobutoxy)phenol?
3-(3-fluorobutoxy)phenol has a molecular weight of 184.21 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorobutoxy)phenol is sourced from PubChem (CID 84659596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).