3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid

C14H17FO3 — CID 117383662

IUPAC3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
SMILESCC(F)c1cc(C(CC(=O)O)C2CC2)ccc1O
InChIInChI=1S/C14H17FO3/c1-8(15)11-6-10(4-5-13(11)16)12(7-14(17)18)9-2-3-9/h4-6,8-9,12,16H,2-3,7H2,1H3,(H,17,18)
InChIKeyPCLNPGGAUDZEKA-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.39
Rot. Bonds5

About 3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid

3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid (PubChem CID 117383662) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
PubChem CID117383662
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
SMILESCC(F)c1cc(C(CC(=O)O)C2CC2)ccc1O
InChIInChI=1S/C14H17FO3/c1-8(15)11-6-10(4-5-13(11)16)12(7-14(17)18)9-2-3-9/h4-6,8-9,12,16H,2-3,7H2,1H3,(H,17,18)
InChIKeyPCLNPGGAUDZEKA-UHFFFAOYSA-N
XLogP3.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 117393605
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
CID 117379319
3-amino-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 84691068
3-cyclopropyl-3-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 117321663
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
CID 117389246
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585
3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117437908
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 117457802
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid (CID 117383662) is 3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid is CC(F)c1cc(C(CC(=O)O)C2CC2)ccc1O.
What is the InChIKey of 3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid?
The InChIKey is PCLNPGGAUDZEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-8(15)11-6-10(4-5-13(11)16)12(7-14(17)18)9-2-3-9/h4-6,8-9,12,16H,2-3,7H2,1H3,(H,17,18).
What are the key properties of 3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid?
3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid has a molecular weight of 252.28 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid is sourced from PubChem (CID 117383662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).