5-(5-fluoro-2-methoxyphenyl)hexanoic acid

C13H17FO3 — CID 112512385

IUPAC5-(5-fluoro-2-methoxyphenyl)hexanoic acid
SMILESCOc1ccc(F)cc1C(C)CCCC(=O)O
InChIInChI=1S/C13H17FO3/c1-9(4-3-5-13(15)16)11-8-10(14)6-7-12(11)17-2/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyUEVDZLSDIIQVSJ-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.19
Rot. Bonds6

About 5-(5-fluoro-2-methoxyphenyl)hexanoic acid

5-(5-fluoro-2-methoxyphenyl)hexanoic acid (PubChem CID 112512385) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)hexanoic acid.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)hexanoic acid
PubChem CID112512385
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name5-(5-fluoro-2-methoxyphenyl)hexanoic acid
SMILESCOc1ccc(F)cc1C(C)CCCC(=O)O
InChIInChI=1S/C13H17FO3/c1-9(4-3-5-13(15)16)11-8-10(14)6-7-12(11)17-2/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyUEVDZLSDIIQVSJ-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
5-(5-fluoro-2-methoxyphenyl)-5-hydroxy-N,N-dimethylpentanamide
CID 112511084
3-(5-fluoro-2-methoxyphenyl)-3-(propan-2-ylamino)propanoic acid
CID 112518994
3-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60838993
4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
CID 116940506
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]butanoic acid
CID 67208829
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
CID 43117843
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
4-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
CID 103394271
4-(4-methoxy-3-propan-2-ylanilino)butanoic acid
CID 115218421

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)hexanoic acid?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)hexanoic acid (CID 112512385) is 5-(5-fluoro-2-methoxyphenyl)hexanoic acid.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)hexanoic acid?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)hexanoic acid is COc1ccc(F)cc1C(C)CCCC(=O)O.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)hexanoic acid?
The InChIKey is UEVDZLSDIIQVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-9(4-3-5-13(15)16)11-8-10(14)6-7-12(11)17-2/h6-9H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)hexanoic acid?
5-(5-fluoro-2-methoxyphenyl)hexanoic acid has a molecular weight of 240.27 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)hexanoic acid is sourced from PubChem (CID 112512385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).