3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid

C12H13FO3 — CID 117321663

IUPAC3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CC(c1cc(F)ccc1O)C1CC1
InChIInChI=1S/C12H13FO3/c13-8-3-4-11(14)10(5-8)9(6-12(15)16)7-1-2-7/h3-5,7,9,14H,1-2,6H2,(H,15,16)
InChIKeyHCSFFYMSZFPBPV-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.50
Rot. Bonds4

About 3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid

3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid (PubChem CID 117321663) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid
PubChem CID117321663
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid
SMILESO=C(O)CC(c1cc(F)ccc1O)C1CC1
InChIInChI=1S/C12H13FO3/c13-8-3-4-11(14)10(5-8)9(6-12(15)16)7-1-2-7/h3-5,7,9,14H,1-2,6H2,(H,15,16)
InChIKeyHCSFFYMSZFPBPV-UHFFFAOYSA-N
XLogP2.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117437908
2-(2-carboxy-1-cyclopropylethyl)-5-fluorobenzoic acid
CID 117383305
(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 124582441
3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 117383662
3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117348794
3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 117393605
(3S)-3-amino-3-(5-fluoro-2-hydroxyphenyl)propanoic acid;hydrochloride
CID 162344213
3-cyclopropyl-3-(3-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321662
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605
3-cyclopropyl-3-(3-fluoro-6-hydroxy-2-methylphenyl)propanoic acid
CID 117348801
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-(2-chloro-5-fluoro-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117434403

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid (CID 117321663) is 3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid is O=C(O)CC(c1cc(F)ccc1O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid?
The InChIKey is HCSFFYMSZFPBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-8-3-4-11(14)10(5-8)9(6-12(15)16)7-1-2-7/h3-5,7,9,14H,1-2,6H2,(H,15,16).
What are the key properties of 3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid?
3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid has a molecular weight of 224.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 117321663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).