2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid

C14H18O3 — CID 105344947

IUPAC2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(COC2CCC2)cc1
InChIInChI=1S/C14H18O3/c1-10(14(15)16)12-7-5-11(6-8-12)9-17-13-3-2-4-13/h5-8,10,13H,2-4,9H2,1H3,(H,15,16)
InChIKeyDZQBQSNRACEDMU-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.94
Rot. Bonds5

About 2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid

2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid (PubChem CID 105344947) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
PubChem CID105344947
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(COC2CCC2)cc1
InChIInChI=1S/C14H18O3/c1-10(14(15)16)12-7-5-11(6-8-12)9-17-13-3-2-4-13/h5-8,10,13H,2-4,9H2,1H3,(H,15,16)
InChIKeyDZQBQSNRACEDMU-UHFFFAOYSA-N
XLogP2.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(cyclopentylmethoxymethyl)phenyl]propanoic acid
CID 105344994
(2S)-2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
CID 10037656
2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
CID 13148395
2-[4-(ethoxymethyl)phenyl]propanoic acid
CID 83883711
2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345726
2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]propanoic acid
CID 105346217
2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide
CID 105351515
2-(4-cyclobutylphenyl)propanoic acid
CID 116506632
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]propanoic acid
CID 105345020
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid (CID 105344947) is 2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(COC2CCC2)cc1.
What is the InChIKey of 2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid?
The InChIKey is DZQBQSNRACEDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(14(15)16)12-7-5-11(6-8-12)9-17-13-3-2-4-13/h5-8,10,13H,2-4,9H2,1H3,(H,15,16).
What are the key properties of 2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid?
2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid has a molecular weight of 234.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 105344947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).