methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate

C12H15FO3 — CID 62121072

IUPACmethyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
SMILESCOC(=O)CCC(O)c1ccc(F)c(C)c1
InChIInChI=1S/C12H15FO3/c1-8-7-9(3-4-10(8)13)11(14)5-6-12(15)16-2/h3-4,7,11,14H,5-6H2,1-2H3
InChIKeyNOGDZHFNIFXHEL-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.12
Rot. Bonds4

About methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate

methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate (PubChem CID 62121072) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
PubChem CID62121072
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Namemethyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
SMILESCOC(=O)CCC(O)c1ccc(F)c(C)c1
InChIInChI=1S/C12H15FO3/c1-8-7-9(3-4-10(8)13)11(14)5-6-12(15)16-2/h3-4,7,11,14H,5-6H2,1-2H3
InChIKeyNOGDZHFNIFXHEL-UHFFFAOYSA-N
XLogP2.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(4-fluoro-3-methylphenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82349042
methyl 4-(3-fluorophenyl)-4-hydroxybutanoate
CID 60731823
methyl 4-hydroxy-4-(4-methyl-3-nitrophenyl)butanoate
CID 82347174
N-cyclopropyl-5-(4-fluoro-3-methylphenyl)-5-hydroxypentanamide
CID 112510939
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
CID 82113315
methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate
CID 138605518
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
methyl 3-(4-fluoro-3-methylphenyl)sulfanylpropanoate
CID 117034036
1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol
CID 55095039
butyl 4-(3-fluoro-4-methylphenyl)-4-hydroxybutanoate
CID 63645344
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
2-[[3-(4-fluoro-3-methylphenyl)-3-hydroxypropyl]amino]butanedioic acid
CID 110831498

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate?
The IUPAC name of methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate (CID 62121072) is methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate.
What is the SMILES notation for methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate?
The canonical SMILES for methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate is COC(=O)CCC(O)c1ccc(F)c(C)c1.
What is the InChIKey of methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate?
The InChIKey is NOGDZHFNIFXHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-8-7-9(3-4-10(8)13)11(14)5-6-12(15)16-2/h3-4,7,11,14H,5-6H2,1-2H3.
What are the key properties of methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate?
methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate has a molecular weight of 226.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate is sourced from PubChem (CID 62121072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).