6-(3-fluorophenoxy)hexan-3-ol

C12H17FO2 — CID 106802653

IUPAC6-(3-fluorophenoxy)hexan-3-ol
SMILESCCC(O)CCCOc1cccc(F)c1
InChIInChI=1S/C12H17FO2/c1-2-11(14)6-4-8-15-12-7-3-5-10(13)9-12/h3,5,7,9,11,14H,2,4,6,8H2,1H3
InChIKeyRPHYXFMOFBJVCS-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.76
Rot. Bonds6

About 6-(3-fluorophenoxy)hexan-3-ol

6-(3-fluorophenoxy)hexan-3-ol (PubChem CID 106802653) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 6-(3-fluorophenoxy)hexan-3-ol.

Molecular Properties

Compound Name6-(3-fluorophenoxy)hexan-3-ol
PubChem CID106802653
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name6-(3-fluorophenoxy)hexan-3-ol
SMILESCCC(O)CCCOc1cccc(F)c1
InChIInChI=1S/C12H17FO2/c1-2-11(14)6-4-8-15-12-7-3-5-10(13)9-12/h3,5,7,9,11,14H,2,4,6,8H2,1H3
InChIKeyRPHYXFMOFBJVCS-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.76
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

6-(3-fluorophenoxy)hexan-3-amine
CID 106800736
6-(3-tert-butylphenoxy)hexan-3-ol
CID 106802689
6-(3-fluorophenoxy)-N-methylhexan-3-amine
CID 106800734
3-hydroxy-3-[3-(4-hydroxyhexoxy)phenyl]propanenitrile
CID 174619722
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
6-(3-fluorophenoxy)hexan-3-one
CID 106801939
7-(3-fluorophenoxy)-2-hydroxyheptanoic acid
CID 66822207
4-(3-fluorophenoxy)butane-1,3-diol
CID 117236747
6-(2,6-dimethylphenoxy)hexan-3-ol
CID 106802636
4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol
CID 64804364

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenoxy)hexan-3-ol?
The IUPAC name of 6-(3-fluorophenoxy)hexan-3-ol (CID 106802653) is 6-(3-fluorophenoxy)hexan-3-ol.
What is the SMILES notation for 6-(3-fluorophenoxy)hexan-3-ol?
The canonical SMILES for 6-(3-fluorophenoxy)hexan-3-ol is CCC(O)CCCOc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenoxy)hexan-3-ol?
The InChIKey is RPHYXFMOFBJVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-2-11(14)6-4-8-15-12-7-3-5-10(13)9-12/h3,5,7,9,11,14H,2,4,6,8H2,1H3.
What are the key properties of 6-(3-fluorophenoxy)hexan-3-ol?
6-(3-fluorophenoxy)hexan-3-ol has a molecular weight of 212.26 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenoxy)hexan-3-ol is sourced from PubChem (CID 106802653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).