propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate

C11H13FO3 — CID 166658006

IUPACpropan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate
SMILESCC(C)OC(=O)Cc1ccc(F)cc1O
InChIInChI=1S/C11H13FO3/c1-7(2)15-11(14)5-8-3-4-9(12)6-10(8)13/h3-4,6-7,13H,5H2,1-2H3
InChIKeyQJIAMAQCSMUNCQ-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.03
Rot. Bonds3

About propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate

propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate (PubChem CID 166658006) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate
PubChem CID166658006
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Namepropan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate
SMILESCC(C)OC(=O)Cc1ccc(F)cc1O
InChIInChI=1S/C11H13FO3/c1-7(2)15-11(14)5-8-3-4-9(12)6-10(8)13/h3-4,6-7,13H,5H2,1-2H3
InChIKeyQJIAMAQCSMUNCQ-UHFFFAOYSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate
CID 82551406
propan-2-yl 3-(2,5-difluorophenyl)-2-oxopropanoate
CID 18370385
1-bromo-3-(4-fluoro-2-hydroxyphenyl)propan-2-one
CID 130852101
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate
CID 107635818
propan-2-yl 2-(2-sulfanylphenyl)acetate
CID 67682935
propan-2-yl 2-(5-bromo-2-methoxyphenyl)acetate
CID 82550039
4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one
CID 57127771
propan-2-yl 2-chloro-5-fluorobenzoate
CID 130658316
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
ethane;5-fluoro-2-propylphenol
CID 143012210
5-fluoro-2-(methylaminomethyl)phenol
CID 82595579

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate?
The IUPAC name of propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate (CID 166658006) is propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate?
The canonical SMILES for propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate is CC(C)OC(=O)Cc1ccc(F)cc1O.
What is the InChIKey of propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate?
The InChIKey is QJIAMAQCSMUNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-7(2)15-11(14)5-8-3-4-9(12)6-10(8)13/h3-4,6-7,13H,5H2,1-2H3.
What are the key properties of propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate?
propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate has a molecular weight of 212.22 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate is sourced from PubChem (CID 166658006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).