2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid

C13H15FO5 — CID 117428689

IUPAC2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(F)c(O)c(C2(CC(=O)O)CC2)c1OC
InChIInChI=1S/C13H15FO5/c1-18-8-5-7(14)11(17)10(12(8)19-2)13(3-4-13)6-9(15)16/h5,17H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyIRHSCYKLZKGOIB-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.05
Rot. Bonds5

About 2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid

2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid (PubChem CID 117428689) has the molecular formula C13H15FO5 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid
PubChem CID117428689
Molecular FormulaC13H15FO5
Molecular Weight270.26 g/mol
Exact Mass270.09
IUPAC Name2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(F)c(O)c(C2(CC(=O)O)CC2)c1OC
InChIInChI=1S/C13H15FO5/c1-18-8-5-7(14)11(17)10(12(8)19-2)13(3-4-13)6-9(15)16/h5,17H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyIRHSCYKLZKGOIB-UHFFFAOYSA-N
XLogP2.05
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117379119
2-[1-[2,3-dimethoxy-6-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449947
2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 117378973
3-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117361952
2-[1-(5-ethyl-2,3-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117415105
2-[1-(3-bromo-5-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117487851
2-[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopropyl]acetic acid
CID 117477593
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
CID 84789631
2-[1-(3-fluoro-4-hydroxy-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800393
2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid
CID 117400294
2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid
CID 117458288

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid (CID 117428689) is 2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid is COc1cc(F)c(O)c(C2(CC(=O)O)CC2)c1OC.
What is the InChIKey of 2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid?
The InChIKey is IRHSCYKLZKGOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO5/c1-18-8-5-7(14)11(17)10(12(8)19-2)13(3-4-13)6-9(15)16/h5,17H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid?
2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid has a molecular weight of 270.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117428689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).