3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid

C12H14O3 — CID 117114834

IUPAC3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1C1(O)CC1
InChIInChI=1S/C12H14O3/c13-11(14)6-5-9-3-1-2-4-10(9)12(15)7-8-12/h1-4,15H,5-8H2,(H,13,14)
InChIKeySOAPUVDEYYFFOM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.69
Rot. Bonds4

About 3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid

3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid (PubChem CID 117114834) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid
PubChem CID117114834
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1C1(O)CC1
InChIInChI=1S/C12H14O3/c13-11(14)6-5-9-3-1-2-4-10(9)12(15)7-8-12/h1-4,15H,5-8H2,(H,13,14)
InChIKeySOAPUVDEYYFFOM-UHFFFAOYSA-N
XLogP1.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid?
The IUPAC name of 3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid (CID 117114834) is 3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid is O=C(O)CCc1ccccc1C1(O)CC1.
What is the InChIKey of 3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid?
The InChIKey is SOAPUVDEYYFFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-11(14)6-5-9-3-1-2-4-10(9)12(15)7-8-12/h1-4,15H,5-8H2,(H,13,14).
What are the key properties of 3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid?
3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid has a molecular weight of 206.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid is sourced from PubChem (CID 117114834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).