2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid

C13H16O4 — CID 117245713

IUPAC2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid
SMILESO=C(O)C(COc1ccccc1O)C1CCC1
InChIInChI=1S/C13H16O4/c14-11-6-1-2-7-12(11)17-8-10(13(15)16)9-4-3-5-9/h1-2,6-7,9-10,14H,3-5,8H2,(H,15,16)
InChIKeyONYBPNHHNPCFIX-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.27
Rot. Bonds5

About 2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid

2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid (PubChem CID 117245713) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid.

Molecular Properties

Compound Name2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid
PubChem CID117245713
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid
SMILESO=C(O)C(COc1ccccc1O)C1CCC1
InChIInChI=1S/C13H16O4/c14-11-6-1-2-7-12(11)17-8-10(13(15)16)9-4-3-5-9/h1-2,6-7,9-10,14H,3-5,8H2,(H,15,16)
InChIKeyONYBPNHHNPCFIX-UHFFFAOYSA-N
XLogP2.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
CID 117246033
2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid
CID 117245498
3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
CID 117245736
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
2-(1,1-dioxothian-4-yl)-3-phenoxypropanoic acid
CID 117239668
2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
CID 117246044
2-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenoxy)propanoic acid
CID 117238250
2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
CID 79418094
3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid
CID 117238314
3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid
CID 105465740
3-(2-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
(E)-2-cyclopentyl-5-phenylpent-4-enoic acid
CID 112569291

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid?
The IUPAC name of 2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid (CID 117245713) is 2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid.
What is the SMILES notation for 2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid?
The canonical SMILES for 2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid is O=C(O)C(COc1ccccc1O)C1CCC1.
What is the InChIKey of 2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid?
The InChIKey is ONYBPNHHNPCFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c14-11-6-1-2-7-12(11)17-8-10(13(15)16)9-4-3-5-9/h1-2,6-7,9-10,14H,3-5,8H2,(H,15,16).
What are the key properties of 2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid?
2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid is sourced from PubChem (CID 117245713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).