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

C14H17FO3 — CID 117383677

IUPAC3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
SMILESCOc1c(C(CC(=O)O)C2CC2)ccc(F)c1C
InChIInChI=1S/C14H17FO3/c1-8-12(15)6-5-10(14(8)18-2)11(7-13(16)17)9-3-4-9/h5-6,9,11H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyRNNCXZRMRWOKLY-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.11
Rot. Bonds5

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

3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid (PubChem CID 117383677) 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-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
PubChem CID117383677
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
SMILESCOc1c(C(CC(=O)O)C2CC2)ccc(F)c1C
InChIInChI=1S/C14H17FO3/c1-8-12(15)6-5-10(14(8)18-2)11(7-13(16)17)9-3-4-9/h5-6,9,11H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyRNNCXZRMRWOKLY-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-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167
3-cyclopropyl-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117446258
3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117481176
3-cyclopropyl-3-(5-hydroxy-4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 117415157
3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429783
3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117373932
3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818
3-cyclopropyl-3-[2,4-dimethoxy-3-(methoxymethyl)phenyl]propanoic acid
CID 117474847
3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid
CID 117348801
3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117383658
3-cyclopropyl-3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)propanoic acid
CID 117457873

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid (CID 117383677) is 3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid is COc1c(C(CC(=O)O)C2CC2)ccc(F)c1C.
What is the InChIKey of 3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid?
The InChIKey is RNNCXZRMRWOKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-8-12(15)6-5-10(14(8)18-2)11(7-13(16)17)9-3-4-9/h5-6,9,11H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid?
3-cyclopropyl-3-(4-fluoro-2-methoxy-3-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-3-methylphenyl)propanoic acid is sourced from PubChem (CID 117383677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).