4-(2-fluorooctoxy)phenol

C14H21FO2 — CID 14401559

IUPAC4-(2-fluorooctoxy)phenol
SMILESCCCCCCC(F)COc1ccc(O)cc1
InChIInChI=1S/C14H21FO2/c1-2-3-4-5-6-12(15)11-17-14-9-7-13(16)8-10-14/h7-10,12,16H,2-6,11H2,1H3
InChIKeyAIQDHQNPSSVEML-UHFFFAOYSA-N
MW240.32 g/mol
LogP4.08
Rot. Bonds8

About 4-(2-fluorooctoxy)phenol

4-(2-fluorooctoxy)phenol (PubChem CID 14401559) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-(2-fluorooctoxy)phenol.

Molecular Properties

Compound Name4-(2-fluorooctoxy)phenol
PubChem CID14401559
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name4-(2-fluorooctoxy)phenol
SMILESCCCCCCC(F)COc1ccc(O)cc1
InChIInChI=1S/C14H21FO2/c1-2-3-4-5-6-12(15)11-17-14-9-7-13(16)8-10-14/h7-10,12,16H,2-6,11H2,1H3
InChIKeyAIQDHQNPSSVEML-UHFFFAOYSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-fluorooctoxy]-4-(4-octoxyphenyl)benzene
CID 22844425
1-(4-decoxyphenyl)-2,3-difluoro-4-[4-[(2R)-2-fluorooctoxy]phenyl]benzene
CID 101044437
2-fluorooctyl 4-hydroxybenzoate
CID 14401550
4-(6-methyldecoxy)phenol
CID 14495583
4-[4-(4-methyldodecoxy)phenyl]phenol
CID 70404459
4-octadecoxyphenol
CID 22179059
5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
CID 139772041
5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
CID 139772001
2-[4-[(2R)-2-fluorobutoxy]phenyl]-5-[(2R)-2-fluorodecoxy]pyrimidine
CID 90769848
4-[(2S)-2-fluorohexoxy]benzonitrile
CID 139777723
2-fluoroheptyl 4-hydroxybenzoate
CID 71341169
S-(4-octoxyphenyl) 4-(2-fluorodecoxy)benzenecarbothioate
CID 14297710

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorooctoxy)phenol?
The IUPAC name of 4-(2-fluorooctoxy)phenol (CID 14401559) is 4-(2-fluorooctoxy)phenol.
What is the SMILES notation for 4-(2-fluorooctoxy)phenol?
The canonical SMILES for 4-(2-fluorooctoxy)phenol is CCCCCCC(F)COc1ccc(O)cc1.
What is the InChIKey of 4-(2-fluorooctoxy)phenol?
The InChIKey is AIQDHQNPSSVEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-2-3-4-5-6-12(15)11-17-14-9-7-13(16)8-10-14/h7-10,12,16H,2-6,11H2,1H3.
What are the key properties of 4-(2-fluorooctoxy)phenol?
4-(2-fluorooctoxy)phenol has a molecular weight of 240.32 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorooctoxy)phenol is sourced from PubChem (CID 14401559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).