3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid

C14H17FO3 — CID 117383658

IUPAC3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1cc(F)c(C)cc1C(CC(=O)O)C1CC1
InChIInChI=1S/C14H17FO3/c1-8-5-11(13(18-2)7-12(8)15)10(6-14(16)17)9-3-4-9/h5,7,9-10H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyYFZHBWTVSUITIA-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.11
Rot. Bonds5

About 3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid

3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid (PubChem CID 117383658) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
PubChem CID117383658
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
SMILESCOc1cc(F)c(C)cc1C(CC(=O)O)C1CC1
InChIInChI=1S/C14H17FO3/c1-8-5-11(13(18-2)7-12(8)15)10(6-14(16)17)9-3-4-9/h5,7,9-10H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyYFZHBWTVSUITIA-UHFFFAOYSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
CID 117472178
3-cyclopropyl-3-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117477676
5-(2-carboxy-1-cyclopropylethyl)-2,4-dimethoxybenzoic acid
CID 117474720
3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818
3-cyclopropyl-3-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]propanoic acid
CID 117495334
3-cyclopropyl-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117446258
3-(2-chloro-5-fluoro-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117434403
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
CID 117383677
3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
CID 84691033
3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117469295

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid (CID 117383658) is 3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid is COc1cc(F)c(C)cc1C(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid?
The InChIKey is YFZHBWTVSUITIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-8-5-11(13(18-2)7-12(8)15)10(6-14(16)17)9-3-4-9/h5,7,9-10H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid?
3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid has a molecular weight of 252.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid is sourced from PubChem (CID 117383658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).