methyl 4-(4-fluorophenyl)-2-hydroxybutanoate

C11H13FO3 — CID 67031210

IUPACmethyl 4-(4-fluorophenyl)-2-hydroxybutanoate
SMILESCOC(=O)C(O)CCc1ccc(F)cc1
InChIInChI=1S/C11H13FO3/c1-15-11(14)10(13)7-4-8-2-5-9(12)6-3-8/h2-3,5-6,10,13H,4,7H2,1H3
InChIKeyJOEJKBHSCKKBTN-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.29
Rot. Bonds4

About methyl 4-(4-fluorophenyl)-2-hydroxybutanoate

methyl 4-(4-fluorophenyl)-2-hydroxybutanoate (PubChem CID 67031210) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-2-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-2-hydroxybutanoate
PubChem CID67031210
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Namemethyl 4-(4-fluorophenyl)-2-hydroxybutanoate
SMILESCOC(=O)C(O)CCc1ccc(F)cc1
InChIInChI=1S/C11H13FO3/c1-15-11(14)10(13)7-4-8-2-5-9(12)6-3-8/h2-3,5-6,10,13H,4,7H2,1H3
InChIKeyJOEJKBHSCKKBTN-UHFFFAOYSA-N
XLogP1.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
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ethane;methyl 4-(4-fluorophenyl)-2-(4-methylbenzoyl)butanoate
CID 176573957
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
methyl 2-(4-fluoroanilino)-4-phenylbutanoate
CID 62881970
methyl (2S)-2-chloro-3-(4-fluorophenyl)propanoate
CID 54763159
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
methyl (2S)-3-(4-fluorophenyl)-2-isocyanopropanoate
CID 97291386
3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676858
methyl 5-[4-(4-aminobutoxy)phenyl]-2-hydroxypentanoate
CID 162757829
methyl 4-(4-fluorophenyl)-2-oxobutanoate
CID 18370211
methyl 2-[(4-fluorophenyl)methyl]hexanoate
CID 175504475

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-2-hydroxybutanoate?
The IUPAC name of methyl 4-(4-fluorophenyl)-2-hydroxybutanoate (CID 67031210) is methyl 4-(4-fluorophenyl)-2-hydroxybutanoate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-2-hydroxybutanoate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-2-hydroxybutanoate is COC(=O)C(O)CCc1ccc(F)cc1.
What is the InChIKey of methyl 4-(4-fluorophenyl)-2-hydroxybutanoate?
The InChIKey is JOEJKBHSCKKBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-15-11(14)10(13)7-4-8-2-5-9(12)6-3-8/h2-3,5-6,10,13H,4,7H2,1H3.
What are the key properties of methyl 4-(4-fluorophenyl)-2-hydroxybutanoate?
methyl 4-(4-fluorophenyl)-2-hydroxybutanoate has a molecular weight of 212.22 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-2-hydroxybutanoate is sourced from PubChem (CID 67031210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).