methyl 3-fluoro-5-hydroxy-4-methylbenzoate

C9H9FO3 — CID 55265589

IUPACmethyl 3-fluoro-5-hydroxy-4-methylbenzoate
SMILESCOC(=O)c1cc(O)c(C)c(F)c1
InChIInChI=1S/C9H9FO3/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4,11H,1-2H3
InChIKeyXGUDTZGRCCTTMQ-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.63
Rot. Bonds1

About methyl 3-fluoro-5-hydroxy-4-methylbenzoate

methyl 3-fluoro-5-hydroxy-4-methylbenzoate (PubChem CID 55265589) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 3-fluoro-5-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-hydroxy-4-methylbenzoate
PubChem CID55265589
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Namemethyl 3-fluoro-5-hydroxy-4-methylbenzoate
SMILESCOC(=O)c1cc(O)c(C)c(F)c1
InChIInChI=1S/C9H9FO3/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4,11H,1-2H3
InChIKeyXGUDTZGRCCTTMQ-UHFFFAOYSA-N
XLogP1.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,5-difluoro-4-methylbenzoate
CID 91655032
methyl 3-fluoro-4,5-dihydroxybenzoate
CID 89407915
methyl 3-chloro-5-hydroxy-4-methylbenzoate
CID 10241910
3-fluoro-5-iodo-4-methylbenzoic acid;methyl 3-fluoro-5-iodo-4-methylbenzoate
CID 143369201
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
[5-[5-[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;[5-[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,5-dihydroxy-4-methylbenzoate;[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,5-dihydroxy-4-methylbenzoate;[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;(2,3-dihydroxy-5-methoxycarbonylphenyl) 3,5-dihydroxy-4-methylbenzoate;methyl 3,4-dihydroxy-5-methylbenzoate
CID 160831420
methyl 3,5-difluorobenzoate
CID 2775360
CID 153289995
CID 153289995
[5-[5-[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;[5-[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,5-dihydroxy-4-methylbenzoate;[5-[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenoxy]carbonyl-3-hydroxy-2-methylphenyl] 3,4-dihydroxy-5-methylbenzoate;[5-[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenoxy]carbonyl-2,3-dihydroxyphenyl] 3,5-dihydroxy-4-methylbenzoate;[5-(2,3-dihydroxy-5-methoxycarbonylphenoxy)carbonyl-2,3-dihydroxyphenyl] 3,4-dihydroxy-5-methylbenzoate;(2,3-dihydroxy-5-methoxycarbonylphenyl) 3,4,5-trihydroxybenzoate;methyl 3,4-dihydroxy-5-methylbenzoate
CID 163841413
methyl 3,4-dihydroxy-5-(methylamino)benzoate
CID 130016117
methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate
CID 156828758
2,2-dimethylpropane;ethane;methyl 3-fluoro-4-hydroxybenzoate
CID 144796029

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-hydroxy-4-methylbenzoate?
The IUPAC name of methyl 3-fluoro-5-hydroxy-4-methylbenzoate (CID 55265589) is methyl 3-fluoro-5-hydroxy-4-methylbenzoate.
What is the SMILES notation for methyl 3-fluoro-5-hydroxy-4-methylbenzoate?
The canonical SMILES for methyl 3-fluoro-5-hydroxy-4-methylbenzoate is COC(=O)c1cc(O)c(C)c(F)c1.
What is the InChIKey of methyl 3-fluoro-5-hydroxy-4-methylbenzoate?
The InChIKey is XGUDTZGRCCTTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4,11H,1-2H3.
What are the key properties of methyl 3-fluoro-5-hydroxy-4-methylbenzoate?
methyl 3-fluoro-5-hydroxy-4-methylbenzoate has a molecular weight of 184.17 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-hydroxy-4-methylbenzoate is sourced from PubChem (CID 55265589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).