3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid

C13H16O4 — CID 142960750

IUPAC3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid
SMILESCOc1cccc(OCC2CC(C(=O)O)C2)c1
InChIInChI=1S/C13H16O4/c1-16-11-3-2-4-12(7-11)17-8-9-5-10(6-9)13(14)15/h2-4,7,9-10H,5-6,8H2,1H3,(H,14,15)
InChIKeyJBVVYTYXEDHXCU-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.18
Rot. Bonds5

About 3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid

3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid (PubChem CID 142960750) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid
PubChem CID142960750
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid
SMILESCOc1cccc(OCC2CC(C(=O)O)C2)c1
InChIInChI=1S/C13H16O4/c1-16-11-3-2-4-12(7-11)17-8-9-5-10(6-9)13(14)15/h2-4,7,9-10H,5-6,8H2,1H3,(H,14,15)
InChIKeyJBVVYTYXEDHXCU-UHFFFAOYSA-N
XLogP2.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547416
4-hydroxy-4-[(3-methoxyphenoxy)methyl]cyclohexane-1-carboxylic acid
CID 106497082
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
(2S,4S)-4-[(3-methoxyphenoxy)methyl]-1-[(1S)-2-methyl-1-propanoyloxypropoxy]carbonylpyrrolidine-2-carboxylic acid
CID 67171801
trans-(1R,2R)-2-[2-(3-methoxyphenoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150665
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
cis-(1R,3S)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 24722452
2-methoxy-1-[(3S)-3-[(3-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone
CID 110211601
2-methoxy-1-[(1R,3S,4R)-3-[(3-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]ethanone
CID 98057140
3-[1-(3-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066771

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid (CID 142960750) is 3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid is COc1cccc(OCC2CC(C(=O)O)C2)c1.
What is the InChIKey of 3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is JBVVYTYXEDHXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-16-11-3-2-4-12(7-11)17-8-9-5-10(6-9)13(14)15/h2-4,7,9-10H,5-6,8H2,1H3,(H,14,15).
What are the key properties of 3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid?
3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 142960750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).