2-(2-cyclobutyloxyethoxy)benzoic acid

C13H16O4 — CID 62115794

IUPAC2-(2-cyclobutyloxyethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCCOC1CCC1
InChIInChI=1S/C13H16O4/c14-13(15)11-6-1-2-7-12(11)17-9-8-16-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2,(H,14,15)
InChIKeySEAPONDTBGQWJP-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.33
Rot. Bonds6

About 2-(2-cyclobutyloxyethoxy)benzoic acid

2-(2-cyclobutyloxyethoxy)benzoic acid (PubChem CID 62115794) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-cyclobutyloxyethoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-cyclobutyloxyethoxy)benzoic acid
PubChem CID62115794
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-(2-cyclobutyloxyethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCCOC1CCC1
InChIInChI=1S/C13H16O4/c14-13(15)11-6-1-2-7-12(11)17-9-8-16-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2,(H,14,15)
InChIKeySEAPONDTBGQWJP-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopentyloxymethoxy)benzoic acid
CID 68845685
2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]benzoic acid
CID 64730959
2-(2-cycloheptyloxyethoxy)benzohydrazide
CID 63570919
1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone
CID 43793785
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
1-(2-cyclobutyloxyethoxy)-2-phenylbenzene
CID 152523562
2-[3-(2,6-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 22682087
2-(2-cyclopentylsulfonylethoxy)benzoic acid
CID 63114508
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
2-(16-chlorohexadecoxy)benzoic acid
CID 56630672
2-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575926
4-[2-(2-chlorophenoxy)ethoxy]cyclohexane-1-carboxylic acid
CID 114451029

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyloxyethoxy)benzoic acid?
The IUPAC name of 2-(2-cyclobutyloxyethoxy)benzoic acid (CID 62115794) is 2-(2-cyclobutyloxyethoxy)benzoic acid.
What is the SMILES notation for 2-(2-cyclobutyloxyethoxy)benzoic acid?
The canonical SMILES for 2-(2-cyclobutyloxyethoxy)benzoic acid is O=C(O)c1ccccc1OCCOC1CCC1.
What is the InChIKey of 2-(2-cyclobutyloxyethoxy)benzoic acid?
The InChIKey is SEAPONDTBGQWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c14-13(15)11-6-1-2-7-12(11)17-9-8-16-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2,(H,14,15).
What are the key properties of 2-(2-cyclobutyloxyethoxy)benzoic acid?
2-(2-cyclobutyloxyethoxy)benzoic acid has a molecular weight of 236.27 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyloxyethoxy)benzoic acid is sourced from PubChem (CID 62115794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).