methyl 4-(3-fluorophenyl)-4-hydroxybutanoate

C11H13FO3 — CID 60731823

IUPACmethyl 4-(3-fluorophenyl)-4-hydroxybutanoate
SMILESCOC(=O)CCC(O)c1cccc(F)c1
InChIInChI=1S/C11H13FO3/c1-15-11(14)6-5-10(13)8-3-2-4-9(12)7-8/h2-4,7,10,13H,5-6H2,1H3
InChIKeyCLPMABUNIKENHN-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.81
Rot. Bonds4

About methyl 4-(3-fluorophenyl)-4-hydroxybutanoate

methyl 4-(3-fluorophenyl)-4-hydroxybutanoate (PubChem CID 60731823) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is methyl 4-(3-fluorophenyl)-4-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 4-(3-fluorophenyl)-4-hydroxybutanoate
PubChem CID60731823
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Namemethyl 4-(3-fluorophenyl)-4-hydroxybutanoate
SMILESCOC(=O)CCC(O)c1cccc(F)c1
InChIInChI=1S/C11H13FO3/c1-15-11(14)6-5-10(13)8-3-2-4-9(12)7-8/h2-4,7,10,13H,5-6H2,1H3
InChIKeyCLPMABUNIKENHN-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
CID 62121072
methyl 4-hydroxy-4-(3-nitrophenyl)butanoate
CID 54942556
methyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
CID 7277827
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
CID 115515411
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
tert-butyl N-[(3R)-3-(3-fluorophenyl)-3-hydroxypropoxy]carbamate
CID 154648435
tert-butyl N-[(3S)-3-(3-fluorophenyl)-3-hydroxypropoxy]carbamate
CID 155695819
(1S)-1-(3-fluorophenyl)-5,5-dimethylhexan-1-ol;hydrochloride
CID 158976565
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluorophenyl)-4-hydroxybutanoate?
The IUPAC name of methyl 4-(3-fluorophenyl)-4-hydroxybutanoate (CID 60731823) is methyl 4-(3-fluorophenyl)-4-hydroxybutanoate.
What is the SMILES notation for methyl 4-(3-fluorophenyl)-4-hydroxybutanoate?
The canonical SMILES for methyl 4-(3-fluorophenyl)-4-hydroxybutanoate is COC(=O)CCC(O)c1cccc(F)c1.
What is the InChIKey of methyl 4-(3-fluorophenyl)-4-hydroxybutanoate?
The InChIKey is CLPMABUNIKENHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-15-11(14)6-5-10(13)8-3-2-4-9(12)7-8/h2-4,7,10,13H,5-6H2,1H3.
What are the key properties of methyl 4-(3-fluorophenyl)-4-hydroxybutanoate?
methyl 4-(3-fluorophenyl)-4-hydroxybutanoate has a molecular weight of 212.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluorophenyl)-4-hydroxybutanoate is sourced from PubChem (CID 60731823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).