2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid

C14H18O3 — CID 114997949

IUPAC2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(C)(OC1CCC1)C(=O)O
InChIInChI=1S/C14H18O3/c1-10-6-3-4-9-12(10)14(2,13(15)16)17-11-7-5-8-11/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,15,16)
InChIKeyMYIDKWOWKCFANO-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.86
Rot. Bonds4

About 2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid

2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid (PubChem CID 114997949) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid
PubChem CID114997949
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(C)(OC1CCC1)C(=O)O
InChIInChI=1S/C14H18O3/c1-10-6-3-4-9-12(10)14(2,13(15)16)17-11-7-5-8-11/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,15,16)
InChIKeyMYIDKWOWKCFANO-UHFFFAOYSA-N
XLogP2.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid
CID 114996604
2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 56924194
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
CID 61001115
2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 83725276
2-cyclopropyl-2-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106509187
(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
CID 93311996
cyclohexyl-(2-methylphenyl)carbamic acid
CID 151470608
1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573
ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid
CID 114997758
[(1R,3R)-3-tert-butylcyclohexyl] benzoate
CID 90714659

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid?
The IUPAC name of 2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid (CID 114997949) is 2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid?
The canonical SMILES for 2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid is Cc1ccccc1C(C)(OC1CCC1)C(=O)O.
What is the InChIKey of 2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid?
The InChIKey is MYIDKWOWKCFANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-6-3-4-9-12(10)14(2,13(15)16)17-11-7-5-8-11/h3-4,6,9,11H,5,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid?
2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid has a molecular weight of 234.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-2-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 114997949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).