methyl 5-acetyl-2-fluoro-4-hydroxybenzoate

C10H9FO4 — CID 169443654

IUPACmethyl 5-acetyl-2-fluoro-4-hydroxybenzoate
SMILESCOC(=O)c1cc(C(C)=O)c(O)cc1F
InChIInChI=1S/C10H9FO4/c1-5(12)6-3-7(10(14)15-2)8(11)4-9(6)13/h3-4,13H,1-2H3
InChIKeyOXDVMVXBFLVKCR-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.52
Rot. Bonds2

About methyl 5-acetyl-2-fluoro-4-hydroxybenzoate

methyl 5-acetyl-2-fluoro-4-hydroxybenzoate (PubChem CID 169443654) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is methyl 5-acetyl-2-fluoro-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-fluoro-4-hydroxybenzoate
PubChem CID169443654
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Namemethyl 5-acetyl-2-fluoro-4-hydroxybenzoate
SMILESCOC(=O)c1cc(C(C)=O)c(O)cc1F
InChIInChI=1S/C10H9FO4/c1-5(12)6-3-7(10(14)15-2)8(11)4-9(6)13/h3-4,13H,1-2H3
InChIKeyOXDVMVXBFLVKCR-UHFFFAOYSA-N
XLogP1.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-acetyl-4-hydroxy-2-methylbenzoate
CID 13227613
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
methyl 4-bromo-5-fluoro-2-hydroxybenzoate
CID 66887268
methyl 4-chloro-5-fluoro-2-hydroxybenzoate
CID 131313356
1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane
CID 155744413
methyl 2-fluoro-5-iodobenzoate
CID 24820379
methyl 2-fluoro-4-prop-1-en-2-ylbenzoate
CID 171572331
methyl 4-(cyclopropanecarbonylamino)-2-fluoro-5-hydroxybenzoate
CID 167021138
1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
CID 53402856
methyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 66545209
methyl 2-acetyl-4-hydroxy-5-methoxybenzoate
CID 58345568
methyl 5-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoylamino]-2,4-difluorobenzoate
CID 139215222

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-fluoro-4-hydroxybenzoate?
The IUPAC name of methyl 5-acetyl-2-fluoro-4-hydroxybenzoate (CID 169443654) is methyl 5-acetyl-2-fluoro-4-hydroxybenzoate.
What is the SMILES notation for methyl 5-acetyl-2-fluoro-4-hydroxybenzoate?
The canonical SMILES for methyl 5-acetyl-2-fluoro-4-hydroxybenzoate is COC(=O)c1cc(C(C)=O)c(O)cc1F.
What is the InChIKey of methyl 5-acetyl-2-fluoro-4-hydroxybenzoate?
The InChIKey is OXDVMVXBFLVKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c1-5(12)6-3-7(10(14)15-2)8(11)4-9(6)13/h3-4,13H,1-2H3.
What are the key properties of methyl 5-acetyl-2-fluoro-4-hydroxybenzoate?
methyl 5-acetyl-2-fluoro-4-hydroxybenzoate has a molecular weight of 212.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-fluoro-4-hydroxybenzoate is sourced from PubChem (CID 169443654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).