propan-2-yl 4-fluoro-3-hydroxybenzoate

C10H11FO3 — CID 146035224

IUPACpropan-2-yl 4-fluoro-3-hydroxybenzoate
SMILESCC(C)OC(=O)c1ccc(F)c(O)c1
InChIInChI=1S/C10H11FO3/c1-6(2)14-10(13)7-3-4-8(11)9(12)5-7/h3-6,12H,1-2H3
InChIKeyWZONAWVAPQBAPJ-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.10
Rot. Bonds2

About propan-2-yl 4-fluoro-3-hydroxybenzoate

propan-2-yl 4-fluoro-3-hydroxybenzoate (PubChem CID 146035224) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is propan-2-yl 4-fluoro-3-hydroxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 4-fluoro-3-hydroxybenzoate
PubChem CID146035224
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Namepropan-2-yl 4-fluoro-3-hydroxybenzoate
SMILESCC(C)OC(=O)c1ccc(F)c(O)c1
InChIInChI=1S/C10H11FO3/c1-6(2)14-10(13)7-3-4-8(11)9(12)5-7/h3-6,12H,1-2H3
InChIKeyWZONAWVAPQBAPJ-UHFFFAOYSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate
CID 141177939
propan-2-yl 3-chloro-4-hydroxybenzoate
CID 60643108
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate
CID 21191991
pentan-2-yl 3,4-difluorobenzoate
CID 91716937
propan-2-yl 4-ethylbenzoate
CID 583760
propan-2-yl 4-acetylbenzoate
CID 10878303
propan-2-yl 2-fluoro-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylate
CID 155534761
methyl 4-(4-fluoro-3-hydroxyphenyl)-2,4-dioxobutanoate
CID 121320590
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-fluoro-3-hydroxybenzoate?
The IUPAC name of propan-2-yl 4-fluoro-3-hydroxybenzoate (CID 146035224) is propan-2-yl 4-fluoro-3-hydroxybenzoate.
What is the SMILES notation for propan-2-yl 4-fluoro-3-hydroxybenzoate?
The canonical SMILES for propan-2-yl 4-fluoro-3-hydroxybenzoate is CC(C)OC(=O)c1ccc(F)c(O)c1.
What is the InChIKey of propan-2-yl 4-fluoro-3-hydroxybenzoate?
The InChIKey is WZONAWVAPQBAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6(2)14-10(13)7-3-4-8(11)9(12)5-7/h3-6,12H,1-2H3.
What are the key properties of propan-2-yl 4-fluoro-3-hydroxybenzoate?
propan-2-yl 4-fluoro-3-hydroxybenzoate has a molecular weight of 198.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-fluoro-3-hydroxybenzoate is sourced from PubChem (CID 146035224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).