4-(2-cyclobutylethoxymethyl)benzoic acid

C14H18O3 — CID 106199345

IUPAC4-(2-cyclobutylethoxymethyl)benzoic acid
SMILESO=C(O)c1ccc(COCCC2CCC2)cc1
InChIInChI=1S/C14H18O3/c15-14(16)13-6-4-12(5-7-13)10-17-9-8-11-2-1-3-11/h4-7,11H,1-3,8-10H2,(H,15,16)
InChIKeyYJUBBYJOIPLINS-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.09
Rot. Bonds6

About 4-(2-cyclobutylethoxymethyl)benzoic acid

4-(2-cyclobutylethoxymethyl)benzoic acid (PubChem CID 106199345) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxymethyl)benzoic acid.

Molecular Properties

Compound Name4-(2-cyclobutylethoxymethyl)benzoic acid
PubChem CID106199345
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name4-(2-cyclobutylethoxymethyl)benzoic acid
SMILESO=C(O)c1ccc(COCCC2CCC2)cc1
InChIInChI=1S/C14H18O3/c15-14(16)13-6-4-12(5-7-13)10-17-9-8-11-2-1-3-11/h4-7,11H,1-3,8-10H2,(H,15,16)
InChIKeyYJUBBYJOIPLINS-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

1-bromo-4-(2-cyclobutylethoxymethyl)benzene
CID 106203728
4-(2-cyclobutylethoxymethyl)pyridine-2-carboxylic acid
CID 106206475
5-(2-cyclobutylethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 106199383
4-[2-(2-cyclobutylethoxy)ethylsulfonyl]benzoic acid
CID 106206493
2-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199375
3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol
CID 106203857
2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide
CID 106206559
4-(3,3-dimethylbutoxymethyl)benzoic acid
CID 66232430
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
4-(2-oxoethoxymethyl)benzoic acid
CID 23344103
3-(2-cyclopropylethoxymethyl)-4-fluorobenzoic acid
CID 106199330
4-[(cyclooctylmethylamino)methyl]benzoic acid
CID 122030513

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxymethyl)benzoic acid?
The IUPAC name of 4-(2-cyclobutylethoxymethyl)benzoic acid (CID 106199345) is 4-(2-cyclobutylethoxymethyl)benzoic acid.
What is the SMILES notation for 4-(2-cyclobutylethoxymethyl)benzoic acid?
The canonical SMILES for 4-(2-cyclobutylethoxymethyl)benzoic acid is O=C(O)c1ccc(COCCC2CCC2)cc1.
What is the InChIKey of 4-(2-cyclobutylethoxymethyl)benzoic acid?
The InChIKey is YJUBBYJOIPLINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-14(16)13-6-4-12(5-7-13)10-17-9-8-11-2-1-3-11/h4-7,11H,1-3,8-10H2,(H,15,16).
What are the key properties of 4-(2-cyclobutylethoxymethyl)benzoic acid?
4-(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 4-(2-cyclobutylethoxymethyl)benzoic acid is sourced from PubChem (CID 106199345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).