2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid

C14H18O4 — CID 117378818

IUPAC2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(C)C(=O)O)cc1OC1CCC1
InChIInChI=1S/C14H18O4/c1-9(14(15)16)10-6-7-12(17-2)13(8-10)18-11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H,15,16)
InChIKeyBMBDMVIOJHUUEN-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.81
Rot. Bonds5

About 2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid

2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid (PubChem CID 117378818) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
PubChem CID117378818
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(C)C(=O)O)cc1OC1CCC1
InChIInChI=1S/C14H18O4/c1-9(14(15)16)10-6-7-12(17-2)13(8-10)18-11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H,15,16)
InChIKeyBMBDMVIOJHUUEN-UHFFFAOYSA-N
XLogP2.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid
CID 117447790
2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 77129521
(2S)-2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 66513349
2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde
CID 102162287
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)propyl]acetamide
CID 142072683
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
2-(4-bromo-3-methoxyphenyl)propanoic acid
CID 83733451
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
3-amino-2-(4-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117381015
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
CID 19892499

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid (CID 117378818) is 2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid is COc1ccc(C(C)C(=O)O)cc1OC1CCC1.
What is the InChIKey of 2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid?
The InChIKey is BMBDMVIOJHUUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-9(14(15)16)10-6-7-12(17-2)13(8-10)18-11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid?
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid has a molecular weight of 250.29 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117378818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).