2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid

C14H18O4 — CID 117379136

IUPAC2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
SMILESCc1ccc(OCC2CCC2)c(C(O)C(=O)O)c1
InChIInChI=1S/C14H18O4/c1-9-5-6-12(18-8-10-3-2-4-10)11(7-9)13(15)14(16)17/h5-7,10,13,15H,2-4,8H2,1H3,(H,16,17)
InChIKeyQEULWNFAPZCKNW-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.29
Rot. Bonds5

About 2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid

2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid (PubChem CID 117379136) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
PubChem CID117379136
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
SMILESCc1ccc(OCC2CCC2)c(C(O)C(=O)O)c1
InChIInChI=1S/C14H18O4/c1-9-5-6-12(18-8-10-3-2-4-10)11(7-9)13(15)14(16)17/h5-7,10,13,15H,2-4,8H2,1H3,(H,16,17)
InChIKeyQEULWNFAPZCKNW-UHFFFAOYSA-N
XLogP2.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117344706
2-[2-(cyclobutylmethoxy)-5-fluorophenyl]-2-hydroxyacetic acid
CID 117388525
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid
CID 117415272
2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117340664
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol
CID 117376905
3-amino-2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117376384
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117388527
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
CID 117472199
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid (CID 117379136) is 2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid is Cc1ccc(OCC2CCC2)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid?
The InChIKey is QEULWNFAPZCKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-9-5-6-12(18-8-10-3-2-4-10)11(7-9)13(15)14(16)17/h5-7,10,13,15H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid?
2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid has a molecular weight of 250.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117379136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).