2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid

C13H15FO4 — CID 117388527

IUPAC2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(OCC2CCC2)c(F)c1
InChIInChI=1S/C13H15FO4/c14-10-6-9(12(15)13(16)17)4-5-11(10)18-7-8-2-1-3-8/h4-6,8,12,15H,1-3,7H2,(H,16,17)
InChIKeyIPTYEKTUINZDJH-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.12
Rot. Bonds5

About 2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid

2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid (PubChem CID 117388527) has the molecular formula C13H15FO4 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid
PubChem CID117388527
Molecular FormulaC13H15FO4
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(OCC2CCC2)c(F)c1
InChIInChI=1S/C13H15FO4/c14-10-6-9(12(15)13(16)17)4-5-11(10)18-7-8-2-1-3-8/h4-6,8,12,15H,1-3,7H2,(H,16,17)
InChIKeyIPTYEKTUINZDJH-UHFFFAOYSA-N
XLogP2.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclobutylmethoxy)-5-fluorophenyl]-2-hydroxyacetic acid
CID 117388525
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117379136
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid
CID 117415272
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
CID 117320100
2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117344706
(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
CID 114191389
1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol
CID 106929835
3-amino-3-[2-(cyclobutylmethoxy)-5-fluorophenyl]propanoic acid
CID 117421508
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid (CID 117388527) is 2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(OCC2CCC2)c(F)c1.
What is the InChIKey of 2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid?
The InChIKey is IPTYEKTUINZDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO4/c14-10-6-9(12(15)13(16)17)4-5-11(10)18-7-8-2-1-3-8/h4-6,8,12,15H,1-3,7H2,(H,16,17).
What are the key properties of 2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid?
2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid has a molecular weight of 254.26 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117388527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).