2-(2-cyclobutylethoxymethyl)benzoic acid

C14H18O3 — CID 106199375

IUPAC2-(2-cyclobutylethoxymethyl)benzoic acid
SMILESO=C(O)c1ccccc1COCCC1CCC1
InChIInChI=1S/C14H18O3/c15-14(16)13-7-2-1-6-12(13)10-17-9-8-11-4-3-5-11/h1-2,6-7,11H,3-5,8-10H2,(H,15,16)
InChIKeyHOFCKIOPMCUGIG-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.09
Rot. Bonds6

About 2-(2-cyclobutylethoxymethyl)benzoic acid

2-(2-cyclobutylethoxymethyl)benzoic acid (PubChem CID 106199375) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-(2-cyclobutylethoxymethyl)benzoic acid
PubChem CID106199375
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-(2-cyclobutylethoxymethyl)benzoic acid
SMILESO=C(O)c1ccccc1COCCC1CCC1
InChIInChI=1S/C14H18O3/c15-14(16)13-7-2-1-6-12(13)10-17-9-8-11-4-3-5-11/h1-2,6-7,11H,3-5,8-10H2,(H,15,16)
InChIKeyHOFCKIOPMCUGIG-UHFFFAOYSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid
CID 106206460
4-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199345
methyl 2-(2-piperidin-4-ylethoxymethyl)benzoate
CID 53410600
2-(oxan-4-ylmethoxymethyl)benzoic acid
CID 55134340
2-(cyclopentyloxymethyl)benzoic acid
CID 43473147
2-[(3-methoxy-3-methylbutoxy)methyl]benzoic acid
CID 106664742
3-(2-cyclopropylethoxymethyl)-4-fluorobenzoic acid
CID 106199330
2-(2-azidoethoxymethyl)benzoic acid
CID 170346196
2-[(cyclopentyloxyamino)methyl]benzoic acid
CID 103262137
4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol
CID 106203848
1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one
CID 106203288
2-(2-cyclobutylethylcarbamoyl)benzoic acid
CID 113478591

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxymethyl)benzoic acid?
The IUPAC name of 2-(2-cyclobutylethoxymethyl)benzoic acid (CID 106199375) is 2-(2-cyclobutylethoxymethyl)benzoic acid.
What is the SMILES notation for 2-(2-cyclobutylethoxymethyl)benzoic acid?
The canonical SMILES for 2-(2-cyclobutylethoxymethyl)benzoic acid is O=C(O)c1ccccc1COCCC1CCC1.
What is the InChIKey of 2-(2-cyclobutylethoxymethyl)benzoic acid?
The InChIKey is HOFCKIOPMCUGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-14(16)13-7-2-1-6-12(13)10-17-9-8-11-4-3-5-11/h1-2,6-7,11H,3-5,8-10H2,(H,15,16).
What are the key properties of 2-(2-cyclobutylethoxymethyl)benzoic acid?
2-(2-cyclobutylethoxymethyl)benzoic acid has a molecular weight of 234.30 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxymethyl)benzoic acid is sourced from PubChem (CID 106199375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).