methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate

C11H13FO4 — CID 117328495

IUPACmethyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate
SMILESCOC(=O)c1cc(C(C)(C)O)cc(F)c1O
InChIInChI=1S/C11H13FO4/c1-11(2,15)6-4-7(10(14)16-3)9(13)8(12)5-6/h4-5,13,15H,1-3H3
InChIKeyPRWOZRDFHFYJBH-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.55
Rot. Bonds2

About methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate

methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate (PubChem CID 117328495) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate
PubChem CID117328495
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Namemethyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate
SMILESCOC(=O)c1cc(C(C)(C)O)cc(F)c1O
InChIInChI=1S/C11H13FO4/c1-11(2,15)6-4-7(10(14)16-3)9(13)8(12)5-6/h4-5,13,15H,1-3H3
InChIKeyPRWOZRDFHFYJBH-UHFFFAOYSA-N
XLogP1.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate
CID 170871811
2-(3-fluoro-4-hydroxy-5-methoxycarbonylphenyl)-2-oxoacetic acid
CID 117356880
methyl 3,4-dibromo-5-fluoro-2-hydroxybenzoate
CID 169225514
methyl 5-[(2R)-2-amino-1-hydroxypropan-2-yl]-2-fluorobenzoate
CID 129322866
methyl 3-fluoro-2-methoxy-5-(trifluoromethyl)benzoate
CID 164890888
1-[3-fluoro-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 171021413
1-(3-fluoro-4-hydroxy-5-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid
CID 117423995
3-amino-3-(3-fluoro-4-hydroxy-5-methoxycarbonylphenyl)propanoic acid
CID 117395773
methyl 3-fluoro-4,5-dihydroxybenzoate
CID 89407915
2-(3,5-difluoro-4-hydroxyphenyl)propan-2-yl 2,2-dimethylpropanoate
CID 170143455
4-amino-4-(3-fluoro-4-hydroxy-5-methoxycarbonylphenyl)butanoic acid
CID 117430629
methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate
CID 136942210

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate?
The IUPAC name of methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate (CID 117328495) is methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate.
What is the SMILES notation for methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate?
The canonical SMILES for methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate is COC(=O)c1cc(C(C)(C)O)cc(F)c1O.
What is the InChIKey of methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate?
The InChIKey is PRWOZRDFHFYJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-11(2,15)6-4-7(10(14)16-3)9(13)8(12)5-6/h4-5,13,15H,1-3H3.
What are the key properties of methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate?
methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate has a molecular weight of 228.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2-hydroxy-5-(2-hydroxypropan-2-yl)benzoate is sourced from PubChem (CID 117328495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).