1-(5-fluoro-2-hydroxyphenyl)octan-1-one

C14H19FO2 — CID 86007473

IUPAC1-(5-fluoro-2-hydroxyphenyl)octan-1-one
SMILESCCCCCCCC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H19FO2/c1-2-3-4-5-6-7-13(16)12-10-11(15)8-9-14(12)17/h8-10,17H,2-7H2,1H3
InChIKeyLVNUQWSOSIKMFP-UHFFFAOYSA-N
MW238.30 g/mol
LogP4.07
Rot. Bonds7

About 1-(5-fluoro-2-hydroxyphenyl)octan-1-one

1-(5-fluoro-2-hydroxyphenyl)octan-1-one (PubChem CID 86007473) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)octan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)octan-1-one
PubChem CID86007473
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)octan-1-one
SMILESCCCCCCCC(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H19FO2/c1-2-3-4-5-6-7-13(16)12-10-11(15)8-9-14(12)17/h8-10,17H,2-7H2,1H3
InChIKeyLVNUQWSOSIKMFP-UHFFFAOYSA-N
XLogP4.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 54.07
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-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
1-(2,5-dihydroxyphenyl)dodecan-1-one
CID 14443793
1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
CID 44588789
1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
1-(5-chloro-2-hydroxyphenyl)octan-1-one
CID 3917734
1-(5-tert-butyl-2-hydroxyphenyl)dodecan-1-one
CID 5212255
1-(4-fluoro-2-methylphenyl)hexan-1-one
CID 71197787
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
1-(2-hydroxy-3-octanoylphenyl)octan-1-one
CID 23530125

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)octan-1-one?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)octan-1-one (CID 86007473) is 1-(5-fluoro-2-hydroxyphenyl)octan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)octan-1-one?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)octan-1-one is CCCCCCCC(=O)c1cc(F)ccc1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)octan-1-one?
The InChIKey is LVNUQWSOSIKMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-2-3-4-5-6-7-13(16)12-10-11(15)8-9-14(12)17/h8-10,17H,2-7H2,1H3.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)octan-1-one?
1-(5-fluoro-2-hydroxyphenyl)octan-1-one has a molecular weight of 238.30 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)octan-1-one is sourced from PubChem (CID 86007473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).