3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid

C16H15FO3 — CID 11300296

IUPAC3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C16H15FO3/c17-14-3-1-2-13(10-14)11-20-15-7-4-12(5-8-15)6-9-16(18)19/h1-5,7-8,10H,6,9,11H2,(H,18,19)
InChIKeyJZPWZCKLKHJCHS-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.42
Rot. Bonds6

About 3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid

3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid (PubChem CID 11300296) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
PubChem CID11300296
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C16H15FO3/c17-14-3-1-2-13(10-14)11-20-15-7-4-12(5-8-15)6-9-16(18)19/h1-5,7-8,10H,6,9,11H2,(H,18,19)
InChIKeyJZPWZCKLKHJCHS-UHFFFAOYSA-N
XLogP3.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one
CID 146006671
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 82051730
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
(2S)-2-ethoxy-3-[4-[2-[4-[(3-fluorophenyl)methoxy]phenyl]ethoxy]phenyl]propanoic acid
CID 57156580
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
CID 142194169
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
1-fluoro-3-[(4-hexylphenoxy)methyl]benzene
CID 123640981

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid (CID 11300296) is 3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid?
The InChIKey is JZPWZCKLKHJCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c17-14-3-1-2-13(10-14)11-20-15-7-4-12(5-8-15)6-9-16(18)19/h1-5,7-8,10H,6,9,11H2,(H,18,19).
What are the key properties of 3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid?
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 11300296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).