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

C12H14O3 — CID 115113055

IUPAC2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(C2(O)CC2)c1
InChIInChI=1S/C12H14O3/c1-8(11(13)14)9-3-2-4-10(7-9)12(15)5-6-12/h2-4,7-8,15H,5-6H2,1H3,(H,13,14)
InChIKeyGKVVTPIICISNMJ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.86
Rot. Bonds3

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

2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid (PubChem CID 115113055) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid
PubChem CID115113055
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(C2(O)CC2)c1
InChIInChI=1S/C12H14O3/c1-8(11(13)14)9-3-2-4-10(7-9)12(15)5-6-12/h2-4,7-8,15H,5-6H2,1H3,(H,13,14)
InChIKeyGKVVTPIICISNMJ-UHFFFAOYSA-N
XLogP1.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol
CID 117278395
1-(3-propan-2-ylphenyl)cyclobutan-1-ol
CID 170997587
1-[3-(1-aminopropan-2-yl)phenyl]cyclopropan-1-ol
CID 115113169
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871
2-[3-[(S)-hydroxy(phenyl)methyl]phenyl]propanoic acid
CID 67709050
1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol
CID 117115274
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
2-phenylpropanoic acid;hydrate
CID 139796091
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid (CID 115113055) is 2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid is CC(C(=O)O)c1cccc(C2(O)CC2)c1.
What is the InChIKey of 2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid?
The InChIKey is GKVVTPIICISNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8(11(13)14)9-3-2-4-10(7-9)12(15)5-6-12/h2-4,7-8,15H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid?
2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid has a molecular weight of 206.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxycyclopropyl)phenyl]propanoic acid is sourced from PubChem (CID 115113055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).