2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid

C13H17FO4 — CID 117393928

IUPAC2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
SMILESCOc1cc(F)c(C(C)C(=O)O)cc1OC(C)C
InChIInChI=1S/C13H17FO4/c1-7(2)18-12-5-9(8(3)13(15)16)10(14)6-11(12)17-4/h5-8H,1-4H3,(H,15,16)
InChIKeyZYQWYOWZBZTJOV-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.81
Rot. Bonds5

About 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid

2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid (PubChem CID 117393928) has the molecular formula C13H17FO4 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
PubChem CID117393928
Molecular FormulaC13H17FO4
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
SMILESCOc1cc(F)c(C(C)C(=O)O)cc1OC(C)C
InChIInChI=1S/C13H17FO4/c1-7(2)18-12-5-9(8(3)13(15)16)10(14)6-11(12)17-4/h5-8H,1-4H3,(H,15,16)
InChIKeyZYQWYOWZBZTJOV-UHFFFAOYSA-N
XLogP2.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid
CID 83895316
methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate
CID 117433363
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428822
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid
CID 117357480
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-ol
CID 117357817
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propanoic acid
CID 117445688
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
3-amino-3-(2,5-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 116938095

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid (CID 117393928) is 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid is COc1cc(F)c(C(C)C(=O)O)cc1OC(C)C.
What is the InChIKey of 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is ZYQWYOWZBZTJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO4/c1-7(2)18-12-5-9(8(3)13(15)16)10(14)6-11(12)17-4/h5-8H,1-4H3,(H,15,16).
What are the key properties of 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid?
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 256.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 117393928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).