3-(2-fluoropropoxy)phenol

C9H11FO2 — CID 84653742

IUPAC3-(2-fluoropropoxy)phenol
SMILESCC(F)COc1cccc(O)c1
InChIInChI=1S/C9H11FO2/c1-7(10)6-12-9-4-2-3-8(11)5-9/h2-5,7,11H,6H2,1H3
InChIKeyTYSNUIVYKJWNLQ-UHFFFAOYSA-N
MW170.18 g/mol
LogP2.13
Rot. Bonds3

About 3-(2-fluoropropoxy)phenol

3-(2-fluoropropoxy)phenol (PubChem CID 84653742) has the molecular formula C9H11FO2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 3-(2-fluoropropoxy)phenol.

Molecular Properties

Compound Name3-(2-fluoropropoxy)phenol
PubChem CID84653742
Molecular FormulaC9H11FO2
Molecular Weight170.18 g/mol
Exact Mass170.07
IUPAC Name3-(2-fluoropropoxy)phenol
SMILESCC(F)COc1cccc(O)c1
InChIInChI=1S/C9H11FO2/c1-7(10)6-12-9-4-2-3-8(11)5-9/h2-5,7,11H,6H2,1H3
InChIKeyTYSNUIVYKJWNLQ-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorobutoxy)phenol
CID 84659596
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
3-[2-(hydroxymethyl)-3,3-dimethylbutoxy]phenol
CID 117242401
3-(3-butan-2-yloxy-2-hydroxypropoxy)phenol
CID 141158658
3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol
CID 117240147
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol
CID 117243718
3-(2-methylpropoxy)phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174368785
3-ethoxyphenol;iodoethane
CID 162028202
3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol
CID 154641760
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropoxy)phenol?
The IUPAC name of 3-(2-fluoropropoxy)phenol (CID 84653742) is 3-(2-fluoropropoxy)phenol.
What is the SMILES notation for 3-(2-fluoropropoxy)phenol?
The canonical SMILES for 3-(2-fluoropropoxy)phenol is CC(F)COc1cccc(O)c1.
What is the InChIKey of 3-(2-fluoropropoxy)phenol?
The InChIKey is TYSNUIVYKJWNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2/c1-7(10)6-12-9-4-2-3-8(11)5-9/h2-5,7,11H,6H2,1H3.
What are the key properties of 3-(2-fluoropropoxy)phenol?
3-(2-fluoropropoxy)phenol has a molecular weight of 170.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropoxy)phenol is sourced from PubChem (CID 84653742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).