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

C12H13FO3 — CID 124582441

IUPAC(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
SMILESO=C(O)C[C@@H](c1cccc(O)c1F)C1CC1
InChIInChI=1S/C12H13FO3/c13-12-8(2-1-3-10(12)14)9(6-11(15)16)7-4-5-7/h1-3,7,9,14H,4-6H2,(H,15,16)/t9-/m1/s1
InChIKeyFMFLDERDVTYQME-SECBINFHSA-N
MW224.23 g/mol
LogP2.50
Rot. Bonds4

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

(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid (PubChem CID 124582441) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
PubChem CID124582441
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name(3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid
SMILESO=C(O)C[C@@H](c1cccc(O)c1F)C1CC1
InChIInChI=1S/C12H13FO3/c13-12-8(2-1-3-10(12)14)9(6-11(15)16)7-4-5-7/h1-3,7,9,14H,4-6H2,(H,15,16)/t9-/m1/s1
InChIKeyFMFLDERDVTYQME-SECBINFHSA-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-(3-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321662
3-cyclopropyl-3-(2-fluoro-3-hydroxy-5-methylphenyl)propanoic acid
CID 117348794
3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321663
3-cyclopropyl-2-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 118142716
3-cyclopropyl-3-[2-(1,1-difluoroethyl)phenyl]propanoic acid
CID 117388777
3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 117393605
3-(1,2-benzoxazol-4-yl)-3-cyclopropylpropanoic acid
CID 117333889
3-cyclopropyl-3-[2-(2-hydroxypropan-2-yl)phenyl]propanoic acid
CID 117107758
3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117437908
3-(3-chloro-2,4,5-trifluorophenyl)-3-cyclopropylpropanoic acid
CID 117107877
2-(2-carboxy-1-cyclopropylethyl)-5-fluorobenzoic acid
CID 117383305
3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid
CID 117358615

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid?
The IUPAC name of (3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid (CID 124582441) is (3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid?
The canonical SMILES for (3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid is O=C(O)C[C@@H](c1cccc(O)c1F)C1CC1.
What is the InChIKey of (3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid?
The InChIKey is FMFLDERDVTYQME-SECBINFHSA-N. The full InChI is InChI=1S/C12H13FO3/c13-12-8(2-1-3-10(12)14)9(6-11(15)16)7-4-5-7/h1-3,7,9,14H,4-6H2,(H,15,16)/t9-/m1/s1.
What are the key properties of (3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid?
(3R)-3-cyclopropyl-3-(2-fluoro-3-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 (3R)-3-cyclopropyl-3-(2-fluoro-3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 124582441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).