3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid

C14H17FO4 — CID 117424223

IUPAC3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1cc(F)cc(CC(C)C(=O)O)c1OC1CC1
InChIInChI=1S/C14H17FO4/c1-8(14(16)17)5-9-6-10(15)7-12(18-2)13(9)19-11-3-4-11/h6-8,11H,3-5H2,1-2H3,(H,16,17)
InChIKeyLZFLUWCTLNKGOX-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.64
Rot. Bonds6

About 3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid

3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 117424223) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid
PubChem CID117424223
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1cc(F)cc(CC(C)C(=O)O)c1OC1CC1
InChIInChI=1S/C14H17FO4/c1-8(14(16)17)5-9-6-10(15)7-12(18-2)13(9)19-11-3-4-11/h6-8,11H,3-5H2,1-2H3,(H,16,17)
InChIKeyLZFLUWCTLNKGOX-UHFFFAOYSA-N
XLogP2.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propanoic acid
CID 117426162
2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid
CID 117390658
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid
CID 117388271
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
3-(2,4-difluoro-3,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117404338
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
CID 117386233
2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid
CID 117436914
3-(5-bromo-2-cyclopropyloxyphenyl)-2-methylpropanoic acid
CID 117481881
2-amino-3-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)propanoic acid
CID 117498947
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol
CID 84701938
3-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117384067

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid (CID 117424223) is 3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid is COc1cc(F)cc(CC(C)C(=O)O)c1OC1CC1.
What is the InChIKey of 3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is LZFLUWCTLNKGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-8(14(16)17)5-9-6-10(15)7-12(18-2)13(9)19-11-3-4-11/h6-8,11H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid?
3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 268.28 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 117424223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).