8-[(3-fluorophenyl)methoxy]octanoic acid

C15H21FO3 — CID 66874952

IUPAC8-[(3-fluorophenyl)methoxy]octanoic acid
SMILESO=C(O)CCCCCCCOCc1cccc(F)c1
InChIInChI=1S/C15H21FO3/c16-14-8-6-7-13(11-14)12-19-10-5-3-1-2-4-9-15(17)18/h6-8,11H,1-5,9-10,12H2,(H,17,18)
InChIKeyOVSLHXWQGBHTAD-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.77
Rot. Bonds10

About 8-[(3-fluorophenyl)methoxy]octanoic acid

8-[(3-fluorophenyl)methoxy]octanoic acid (PubChem CID 66874952) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methoxy]octanoic acid.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methoxy]octanoic acid
PubChem CID66874952
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name8-[(3-fluorophenyl)methoxy]octanoic acid
SMILESO=C(O)CCCCCCCOCc1cccc(F)c1
InChIInChI=1S/C15H21FO3/c16-14-8-6-7-13(11-14)12-19-10-5-3-1-2-4-9-15(17)18/h6-8,11H,1-5,9-10,12H2,(H,17,18)
InChIKeyOVSLHXWQGBHTAD-UHFFFAOYSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.77
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

3-[3-(nonoxymethyl)phenyl]propanoic acid
CID 67860253
3-[2-(3-fluorophenyl)ethoxy]propanoic acid
CID 59296248
9-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300567
12-[(9,10-dioxoanthracen-2-yl)methoxy]dodecanoic acid
CID 102122299
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
5-[(3-fluorophenyl)methylsulfanyl]pentanoic acid
CID 117097942
N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944
5-[(4-bromophenyl)methoxy]pentanoic acid
CID 82827863
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
5-O-[(3-fluorophenyl)methyl] 1-O-undecyl pentanedioate
CID 91707222
8-[2-(7-carboxyheptoxy)-3-[2-[2-[2-(2-phenylmethoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]propoxy]octanoic acid
CID 169059619

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methoxy]octanoic acid?
The IUPAC name of 8-[(3-fluorophenyl)methoxy]octanoic acid (CID 66874952) is 8-[(3-fluorophenyl)methoxy]octanoic acid.
What is the SMILES notation for 8-[(3-fluorophenyl)methoxy]octanoic acid?
The canonical SMILES for 8-[(3-fluorophenyl)methoxy]octanoic acid is O=C(O)CCCCCCCOCc1cccc(F)c1.
What is the InChIKey of 8-[(3-fluorophenyl)methoxy]octanoic acid?
The InChIKey is OVSLHXWQGBHTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c16-14-8-6-7-13(11-14)12-19-10-5-3-1-2-4-9-15(17)18/h6-8,11H,1-5,9-10,12H2,(H,17,18).
What are the key properties of 8-[(3-fluorophenyl)methoxy]octanoic acid?
8-[(3-fluorophenyl)methoxy]octanoic acid has a molecular weight of 268.33 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methoxy]octanoic acid is sourced from PubChem (CID 66874952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).