3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid

C13H15FO3 — CID 117348801

IUPAC3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid
SMILESCc1c(F)ccc(O)c1C(CC(=O)O)C1CC1
InChIInChI=1S/C13H15FO3/c1-7-10(14)4-5-11(15)13(7)9(6-12(16)17)8-2-3-8/h4-5,8-9,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyBFCDQGFLBMVDRE-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.81
Rot. Bonds4

About 3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid

3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid (PubChem CID 117348801) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid
PubChem CID117348801
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid
SMILESCc1c(F)ccc(O)c1C(CC(=O)O)C1CC1
InChIInChI=1S/C13H15FO3/c1-7-10(14)4-5-11(15)13(7)9(6-12(16)17)8-2-3-8/h4-5,8-9,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyBFCDQGFLBMVDRE-UHFFFAOYSA-N
XLogP2.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
CID 117383677
3-(6-bromo-2,3-dihydroxyphenyl)-3-cyclopropylpropanoic acid
CID 117484779
3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321663
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid
CID 117358615
3-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117393615
(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 124582441
3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117348794
3-cyclopropyl-3-(3-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321662
3-(2-acetamido-6-chloro-3-hydroxyphenyl)-3-cyclopropylpropanoic acid
CID 117479334
3-(3-chloro-2,5-difluoro-6-hydroxyphenyl)-3-cyclopropylpropanoic acid
CID 117443249
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid (CID 117348801) is 3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid is Cc1c(F)ccc(O)c1C(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid?
The InChIKey is BFCDQGFLBMVDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-7-10(14)4-5-11(15)13(7)9(6-12(16)17)8-2-3-8/h4-5,8-9,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid?
3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid has a molecular weight of 238.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid is sourced from PubChem (CID 117348801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).