3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid

C16H15FO3 — CID 117243455

IUPAC3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(COc2ccc(F)cc2)C(=O)O)c1
InChIInChI=1S/C16H15FO3/c1-11-3-2-4-12(9-11)15(16(18)19)10-20-14-7-5-13(17)6-8-14/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyPVXQJCGWLLOMRQ-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.38
Rot. Bonds5

About 3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid

3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid (PubChem CID 117243455) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
PubChem CID117243455
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(COc2ccc(F)cc2)C(=O)O)c1
InChIInChI=1S/C16H15FO3/c1-11-3-2-4-12(9-11)15(16(18)19)10-20-14-7-5-13(17)6-8-14/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyPVXQJCGWLLOMRQ-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
3-(2-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243339
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
CID 117245238
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
CID 117243411
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244430
3-(2-bromo-4-fluorophenyl)-2-(3-methylphenyl)propanoic acid
CID 79437082
(2R)-4-methoxy-2-(3-methylphenyl)-4-oxobutanoic acid
CID 159328207
(3S)-3-(4-fluorophenyl)-3-(3-methylphenyl)propanoic acid
CID 42073733
methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
CID 117243479
2-(3-methylphenyl)-3-trimethylsilylpropanoic acid
CID 106322983

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid?
The IUPAC name of 3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid (CID 117243455) is 3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid?
The canonical SMILES for 3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid is Cc1cccc(C(COc2ccc(F)cc2)C(=O)O)c1.
What is the InChIKey of 3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid?
The InChIKey is PVXQJCGWLLOMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11-3-2-4-12(9-11)15(16(18)19)10-20-14-7-5-13(17)6-8-14/h2-9,15H,10H2,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid?
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 117243455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).