3-(1-fluorobutoxy)phenol

C10H13FO2 — CID 174949464

IUPAC3-(1-fluorobutoxy)phenol
SMILESCCCC(F)Oc1cccc(O)c1
InChIInChI=1S/C10H13FO2/c1-2-4-10(11)13-9-6-3-5-8(12)7-9/h3,5-7,10,12H,2,4H2,1H3
InChIKeyLIZMPLKGUOJXBT-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.87
Rot. Bonds4

About 3-(1-fluorobutoxy)phenol

3-(1-fluorobutoxy)phenol (PubChem CID 174949464) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 3-(1-fluorobutoxy)phenol.

Molecular Properties

Compound Name3-(1-fluorobutoxy)phenol
PubChem CID174949464
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name3-(1-fluorobutoxy)phenol
SMILESCCCC(F)Oc1cccc(O)c1
InChIInChI=1S/C10H13FO2/c1-2-4-10(11)13-9-6-3-5-8(12)7-9/h3,5-7,10,12H,2,4H2,1H3
InChIKeyLIZMPLKGUOJXBT-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-decan-4-yloxyphenol
CID 57284040
1,3-bis(1-fluoropropoxy)benzene
CID 22027155
2-(3-hydroxyphenoxy)-N-propylpropanamide
CID 43143504
3-(3-methyloctan-2-yloxy)phenol
CID 70609437
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
3-(3-fluorobutoxy)phenol
CID 84659596
3-(3-hydroxybutan-2-yloxy)phenol
CID 77394204
methyl 2-[(3-hydroxyphenoxy)methyl]pentanoate
CID 117242190
3-(2-fluoropropoxy)phenol
CID 84653742
3-(1,1,1-trifluoropropan-2-yloxy)phenol
CID 117095393
butyl 2-(3-hydroxyphenoxy)propanoate
CID 154641842
3-(1-hydroxy-2-sulfanylethoxy)phenol
CID 163871657

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluorobutoxy)phenol?
The IUPAC name of 3-(1-fluorobutoxy)phenol (CID 174949464) is 3-(1-fluorobutoxy)phenol.
What is the SMILES notation for 3-(1-fluorobutoxy)phenol?
The canonical SMILES for 3-(1-fluorobutoxy)phenol is CCCC(F)Oc1cccc(O)c1.
What is the InChIKey of 3-(1-fluorobutoxy)phenol?
The InChIKey is LIZMPLKGUOJXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-2-4-10(11)13-9-6-3-5-8(12)7-9/h3,5-7,10,12H,2,4H2,1H3.
What are the key properties of 3-(1-fluorobutoxy)phenol?
3-(1-fluorobutoxy)phenol has a molecular weight of 184.21 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluorobutoxy)phenol is sourced from PubChem (CID 174949464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).