2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid

C21H21FO4 — CID 130386999

IUPAC2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1COc1ccc(-c2cc(OC3CCC3)ccc2F)cc1
InChIInChI=1S/C21H21FO4/c22-20-9-8-17(26-16-2-1-3-16)11-18(20)13-4-6-15(7-5-13)25-12-14-10-19(14)21(23)24/h4-9,11,14,16,19H,1-3,10,12H2,(H,23,24)
InChIKeyMMMDWFZPJYIFHP-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.52
Rot. Bonds7

About 2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid

2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid (PubChem CID 130386999) has the molecular formula C21H21FO4 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
PubChem CID130386999
Molecular FormulaC21H21FO4
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1COc1ccc(-c2cc(OC3CCC3)ccc2F)cc1
InChIInChI=1S/C21H21FO4/c22-20-9-8-17(26-16-2-1-3-16)11-18(20)13-4-6-15(7-5-13)25-12-14-10-19(14)21(23)24/h4-9,11,14,16,19H,1-3,10,12H2,(H,23,24)
InChIKeyMMMDWFZPJYIFHP-UHFFFAOYSA-N
XLogP4.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pentanoic acid, 5,5'-((1,1'-biphenyl)-2,5-diylbis(oxy))bis(2,2-dimethyl-
CID 127627
3-[4-(2-Ethylbutoxy)phenyl]-3-phenylpropanoic acid
CID 16738034
3-[4-(2-Methylbutoxy)phenyl]-3-phenylpropanoic acid
CID 16747701
(2S,3R)-3-cyclopropyl-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoic acid
CID 134465732
(3S)-3-cyclopropyl-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]propanoic acid
CID 134465785
(2R,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoic acid
CID 134465794
3-[4-(3-Methoxypropoxy)phenyl]-3-phenylpropanoic acid
CID 16735096
3-{4-[(3-Methylbut-3-en-1-yl)oxy]phenyl}-3-phenylpropanoic acid
CID 16735109
3-[4-(3-Methylbutoxy)phenyl]-3-phenylpropanoic acid
CID 16735364
3-(4-Butoxyphenyl)-3-(3-fluorophenyl)propanoic acid
CID 16736954
3-[4-(Heptyloxy)phenyl]-3-phenylpropanoic acid
CID 16737678
3-Phenyl-3-[4-(4,4,4-trifluorobutoxy)phenyl]propanoic acid
CID 16737843

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid (CID 130386999) is 2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1COc1ccc(-c2cc(OC3CCC3)ccc2F)cc1.
What is the InChIKey of 2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is MMMDWFZPJYIFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FO4/c22-20-9-8-17(26-16-2-1-3-16)11-18(20)13-4-6-15(7-5-13)25-12-14-10-19(14)21(23)24/h4-9,11,14,16,19H,1-3,10,12H2,(H,23,24).
What are the key properties of 2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid?
2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 356.39 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-cyclobutyloxy-2-fluorophenyl)phenoxy]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130386999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).