3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid

C13H15FO3 — CID 117348798

IUPAC3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid
SMILESCOc1cc(F)cc(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C13H15FO3/c1-17-11-5-9(4-10(14)6-11)12(7-13(15)16)8-2-3-8/h4-6,8,12H,2-3,7H2,1H3,(H,15,16)
InChIKeyVUAXCYBLWZKKHQ-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.80
Rot. Bonds5

About 3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid

3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid (PubChem CID 117348798) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid
PubChem CID117348798
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid
SMILESCOc1cc(F)cc(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C13H15FO3/c1-17-11-5-9(4-10(14)6-11)12(7-13(15)16)8-2-3-8/h4-6,8,12H,2-3,7H2,1H3,(H,15,16)
InChIKeyVUAXCYBLWZKKHQ-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117393615
3-cyclopropyl-3-[4-hydroxy-3-methoxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117489469
3-(2-chloro-5-fluoro-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117434403
3-cyclopropyl-3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)propanoic acid
CID 117457873
3-(4-bromo-3,5-difluorophenyl)-3-cyclopropylpropanoic acid
CID 117490252
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
(R)-cyclopropyl-(3-fluoro-5-methoxyphenyl)methanamine
CID 55278948
3-cyclopropyl-3-(3-fluoro-5-methoxycarbonyl-4-methylphenyl)propanoic acid
CID 117449817
3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide
CID 113411988
3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid
CID 117429853
3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117472174
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
CID 117389246

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid (CID 117348798) is 3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid is COc1cc(F)cc(C(CC(=O)O)C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid?
The InChIKey is VUAXCYBLWZKKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-17-11-5-9(4-10(14)6-11)12(7-13(15)16)8-2-3-8/h4-6,8,12H,2-3,7H2,1H3,(H,15,16).
What are the key properties of 3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid?
3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid has a molecular weight of 238.26 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117348798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).