2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid

C12H13FO3 — CID 84789631

IUPAC2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1cccc(C2(CC(=O)O)CC2)c1F
InChIInChI=1S/C12H13FO3/c1-16-9-4-2-3-8(11(9)13)12(5-6-12)7-10(14)15/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyFSULZBZCGLYYCV-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.34
Rot. Bonds4

About 2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid

2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid (PubChem CID 84789631) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
PubChem CID84789631
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1cccc(C2(CC(=O)O)CC2)c1F
InChIInChI=1S/C12H13FO3/c1-16-9-4-2-3-8(11(9)13)12(5-6-12)7-10(14)15/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyFSULZBZCGLYYCV-UHFFFAOYSA-N
XLogP2.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid
CID 117415115
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-(3-fluoro-4-hydroxy-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800393
2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
CID 117383717
1-(2-fluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 83808255
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-[1-(2-methoxy-6-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117457810
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117453838
2-[1-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117424192
2-[1-[2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787394

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid (CID 84789631) is 2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid is COc1cccc(C2(CC(=O)O)CC2)c1F.
What is the InChIKey of 2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid?
The InChIKey is FSULZBZCGLYYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-16-9-4-2-3-8(11(9)13)12(5-6-12)7-10(14)15/h2-4H,5-7H2,1H3,(H,14,15).
What are the key properties of 2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid?
2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid has a molecular weight of 224.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84789631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).