2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid

C18H19FO3 — CID 82136618

IUPAC2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid
SMILESCc1ccc(OCCCC(C(=O)O)c2ccccc2F)cc1
InChIInChI=1S/C18H19FO3/c1-13-8-10-14(11-9-13)22-12-4-6-16(18(20)21)15-5-2-3-7-17(15)19/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,21)
InChIKeyQTKUSNATNRHVBX-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.16
Rot. Bonds7

About 2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid

2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid (PubChem CID 82136618) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid
PubChem CID82136618
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Name2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid
SMILESCc1ccc(OCCCC(C(=O)O)c2ccccc2F)cc1
InChIInChI=1S/C18H19FO3/c1-13-8-10-14(11-9-13)22-12-4-6-16(18(20)21)15-5-2-3-7-17(15)19/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,21)
InChIKeyQTKUSNATNRHVBX-UHFFFAOYSA-N
XLogP4.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.16
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

5-ethoxy-2-(2-fluorophenyl)pentanoic acid
CID 79439803
2-(2-fluorophenyl)heptanoic acid
CID 79439623
5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid
CID 82136641
2-hydroxy-5-(4-methylphenoxy)pentanoic acid
CID 69033071
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
2-(2-fluorophenyl)-4-methylsulfonylbutanoic acid
CID 79438904
2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid
CID 117244463
(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
CID 157200249
2-(2-fluorophenyl)butanedioic acid
CID 50990542
5-ethoxy-4-(2-fluorophenyl)-5-oxopentanoic acid
CID 10890444
2-ethoxycarbonyl-5-phenoxypentanoic acid
CID 54066512
3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 134049964

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid?
The IUPAC name of 2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid (CID 82136618) is 2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid?
The canonical SMILES for 2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid is Cc1ccc(OCCCC(C(=O)O)c2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid?
The InChIKey is QTKUSNATNRHVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3/c1-13-8-10-14(11-9-13)22-12-4-6-16(18(20)21)15-5-2-3-7-17(15)19/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,21).
What are the key properties of 2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid?
2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid has a molecular weight of 302.35 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid is sourced from PubChem (CID 82136618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).