4-(2-cyclobutylethoxy)-2-methylbenzoic acid

C14H18O3 — CID 106200438

IUPAC4-(2-cyclobutylethoxy)-2-methylbenzoic acid
SMILESCc1cc(OCCC2CCC2)ccc1C(=O)O
InChIInChI=1S/C14H18O3/c1-10-9-12(5-6-13(10)14(15)16)17-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyLGFKOPHIISJDIY-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.26
Rot. Bonds5

About 4-(2-cyclobutylethoxy)-2-methylbenzoic acid

4-(2-cyclobutylethoxy)-2-methylbenzoic acid (PubChem CID 106200438) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)-2-methylbenzoic acid.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)-2-methylbenzoic acid
PubChem CID106200438
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name4-(2-cyclobutylethoxy)-2-methylbenzoic acid
SMILESCc1cc(OCCC2CCC2)ccc1C(=O)O
InChIInChI=1S/C14H18O3/c1-10-9-12(5-6-13(10)14(15)16)17-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyLGFKOPHIISJDIY-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(2-cyclobutylethoxy)benzoic acid
CID 106203443
2-methyl-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 107671293
2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid
CID 106199654
4-amino-2-(2-cyclobutylethoxy)benzoic acid
CID 106203435
4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246
2-methyl-4-(oxan-4-ylmethoxy)benzoic acid
CID 81282466
4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide
CID 106202035
4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid
CID 107671203
2-methyl-4-(3-phenylpropoxy)benzoic acid
CID 81293485
3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol
CID 83134949
2-methyl-4-(2-piperidin-2-ylethoxy)benzamide
CID 81276506
4-(4,4-dimethylpent-2-ynoxy)-2-methylbenzoic acid
CID 114189750

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)-2-methylbenzoic acid?
The IUPAC name of 4-(2-cyclobutylethoxy)-2-methylbenzoic acid (CID 106200438) is 4-(2-cyclobutylethoxy)-2-methylbenzoic acid.
What is the SMILES notation for 4-(2-cyclobutylethoxy)-2-methylbenzoic acid?
The canonical SMILES for 4-(2-cyclobutylethoxy)-2-methylbenzoic acid is Cc1cc(OCCC2CCC2)ccc1C(=O)O.
What is the InChIKey of 4-(2-cyclobutylethoxy)-2-methylbenzoic acid?
The InChIKey is LGFKOPHIISJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-9-12(5-6-13(10)14(15)16)17-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 4-(2-cyclobutylethoxy)-2-methylbenzoic acid?
4-(2-cyclobutylethoxy)-2-methylbenzoic acid has a molecular weight of 234.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxy)-2-methylbenzoic acid is sourced from PubChem (CID 106200438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).