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

C13H15FO3 — CID 107661550

IUPAC2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid
SMILESCc1cccc(OCC2(CC(=O)O)CC2)c1F
InChIInChI=1S/C13H15FO3/c1-9-3-2-4-10(12(9)14)17-8-13(5-6-13)7-11(15)16/h2-4H,5-8H2,1H3,(H,15,16)
InChIKeyIWDUWDSULMSNOQ-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.77
Rot. Bonds5

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

2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid (PubChem CID 107661550) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid
PubChem CID107661550
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid
SMILESCc1cccc(OCC2(CC(=O)O)CC2)c1F
InChIInChI=1S/C13H15FO3/c1-9-3-2-4-10(12(9)14)17-8-13(5-6-13)7-11(15)16/h2-4H,5-8H2,1H3,(H,15,16)
InChIKeyIWDUWDSULMSNOQ-UHFFFAOYSA-N
XLogP2.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468
2-[1-[(2-phenylphenoxy)methyl]cyclopropyl]acetic acid
CID 65497398
1-[[1-(bromomethyl)cyclobutyl]methoxy]-2-fluoro-3-methylbenzene
CID 107657626
2-[1-[(3-fluorophenoxy)methyl]cyclopropyl]acetic acid
CID 65497401
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2-fluoro-3-methylbenzene
CID 107657637
2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498044
2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65498478
2-[1-[(3-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498253
6-(2-fluoro-3-methylphenoxy)hexanoic acid
CID 107655017
2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65495933
2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498695
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid (CID 107661550) is 2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid is Cc1cccc(OCC2(CC(=O)O)CC2)c1F.
What is the InChIKey of 2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid?
The InChIKey is IWDUWDSULMSNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-9-3-2-4-10(12(9)14)17-8-13(5-6-13)7-11(15)16/h2-4H,5-8H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid?
2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid has a molecular weight of 238.26 g/mol, XLogP of 2.77, 5 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-methylphenoxy)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 107661550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).