methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate

C11H13FO3 — CID 117302808

IUPACmethyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate
SMILESCOC(=O)c1cc(CCO)c(F)cc1C
InChIInChI=1S/C11H13FO3/c1-7-5-10(12)8(3-4-13)6-9(7)11(14)15-2/h5-6,13H,3-4H2,1-2H3
InChIKeyQEXSTOYFFQBQIU-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.46
Rot. Bonds3

About methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate

methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate (PubChem CID 117302808) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate
PubChem CID117302808
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Namemethyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate
SMILESCOC(=O)c1cc(CCO)c(F)cc1C
InChIInChI=1S/C11H13FO3/c1-7-5-10(12)8(3-4-13)6-9(7)11(14)15-2/h5-6,13H,3-4H2,1-2H3
InChIKeyQEXSTOYFFQBQIU-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate
CID 117297589
2-amino-3-(2-fluoro-5-methoxycarbonyl-4-methylphenyl)propanoic acid
CID 117390645
methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate
CID 117325036
methyl 2-bromo-4-fluoro-5-(hydroxymethyl)benzoate
CID 118186621
2-(5-chloro-2-fluoro-4-methylphenyl)ethanol
CID 117281244
methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate
CID 66956173
methyl 4-cyano-5-(hydroxymethyl)-2-methylbenzoate
CID 131589845
methyl 2-(chloromethyl)-4-fluoro-5-methylbenzoate
CID 171020390
methyl 2-(bromomethyl)-5-fluoro-4-methylbenzoate
CID 171018123
1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone
CID 117278348
methyl 3-fluoro-4-(7-hydroxyheptyl)benzoate
CID 67485379
methyl 3-(2-hydroxyethyl)-6-propan-2-ylazulene-1-carboxylate
CID 10084626

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate?
The IUPAC name of methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate (CID 117302808) is methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate.
What is the SMILES notation for methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate?
The canonical SMILES for methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate is COC(=O)c1cc(CCO)c(F)cc1C.
What is the InChIKey of methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate?
The InChIKey is QEXSTOYFFQBQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-7-5-10(12)8(3-4-13)6-9(7)11(14)15-2/h5-6,13H,3-4H2,1-2H3.
What are the key properties of methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate?
methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate has a molecular weight of 212.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate is sourced from PubChem (CID 117302808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).