methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate

C10H11FO4 — CID 117305103

IUPACmethyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(CO)cc(F)c1OC
InChIInChI=1S/C10H11FO4/c1-14-9-7(10(13)15-2)3-6(5-12)4-8(9)11/h3-4,12H,5H2,1-2H3
InChIKeyPRBADEYABAJYPR-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.11
Rot. Bonds3

About methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate

methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate (PubChem CID 117305103) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
PubChem CID117305103
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Namemethyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(CO)cc(F)c1OC
InChIInChI=1S/C10H11FO4/c1-14-9-7(10(13)15-2)3-6(5-12)4-8(9)11/h3-4,12H,5H2,1-2H3
InChIKeyPRBADEYABAJYPR-UHFFFAOYSA-N
XLogP1.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(cyanomethyl)-3-fluoro-2-methoxybenzoate
CID 117319076
4-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)butanoic acid
CID 117428637
methyl 3-fluoro-2-methoxy-5-(trifluoromethyl)benzoate
CID 164890888
methyl 5-[(E)-3-aminoprop-1-enyl]-3-fluoro-2-methoxybenzoate
CID 117350271
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84669284
3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid
CID 84670427
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 83885726
methyl 5-(4-aminobutan-2-yl)-3-fluoro-2-methoxybenzoate
CID 117391059
3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one
CID 117323328
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanoate
CID 79888346
methyl 2-acetamido-6-fluoro-4-(hydroxymethyl)benzoate
CID 177218586
4-amino-4-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)butanoic acid
CID 117459284

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate?
The IUPAC name of methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate (CID 117305103) is methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate.
What is the SMILES notation for methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate?
The canonical SMILES for methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate is COC(=O)c1cc(CO)cc(F)c1OC.
What is the InChIKey of methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate?
The InChIKey is PRBADEYABAJYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-14-9-7(10(13)15-2)3-6(5-12)4-8(9)11/h3-4,12H,5H2,1-2H3.
What are the key properties of methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate?
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate has a molecular weight of 214.19 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate is sourced from PubChem (CID 117305103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).