2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid

C16H15FO3 — CID 151349198

IUPAC2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid
SMILESCOc1cccc(-c2ccc(C(C)C(=O)O)cc2F)c1
InChIInChI=1S/C16H15FO3/c1-10(16(18)19)11-6-7-14(15(17)9-11)12-4-3-5-13(8-12)20-2/h3-10H,1-2H3,(H,18,19)
InChIKeyOMCSPVMBWMMWOG-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.69
Rot. Bonds4

About 2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid

2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid (PubChem CID 151349198) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid
PubChem CID151349198
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid
SMILESCOc1cccc(-c2ccc(C(C)C(=O)O)cc2F)c1
InChIInChI=1S/C16H15FO3/c1-10(16(18)19)11-6-7-14(15(17)9-11)12-4-3-5-13(8-12)20-2/h3-10H,1-2H3,(H,18,19)
InChIKeyOMCSPVMBWMMWOG-UHFFFAOYSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid (CID 151349198) is 2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid is COc1cccc(-c2ccc(C(C)C(=O)O)cc2F)c1.
What is the InChIKey of 2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid?
The InChIKey is OMCSPVMBWMMWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10(16(18)19)11-6-7-14(15(17)9-11)12-4-3-5-13(8-12)20-2/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid?
2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(3-methoxyphenyl)phenyl]propanoic acid is sourced from PubChem (CID 151349198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).