propan-2-yl 5-hydroxy-2-methylbenzoate

C11H14O3 — CID 126975717

IUPACpropan-2-yl 5-hydroxy-2-methylbenzoate
SMILESCc1ccc(O)cc1C(=O)OC(C)C
InChIInChI=1S/C11H14O3/c1-7(2)14-11(13)10-6-9(12)5-4-8(10)3/h4-7,12H,1-3H3
InChIKeyPNITXKOGGBGRDG-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.27
Rot. Bonds2

About propan-2-yl 5-hydroxy-2-methylbenzoate

propan-2-yl 5-hydroxy-2-methylbenzoate (PubChem CID 126975717) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is propan-2-yl 5-hydroxy-2-methylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 5-hydroxy-2-methylbenzoate
PubChem CID126975717
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namepropan-2-yl 5-hydroxy-2-methylbenzoate
SMILESCc1ccc(O)cc1C(=O)OC(C)C
InChIInChI=1S/C11H14O3/c1-7(2)14-11(13)10-6-9(12)5-4-8(10)3/h4-7,12H,1-3H3
InChIKeyPNITXKOGGBGRDG-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-hydroxy-2-methylbenzoate?
The IUPAC name of propan-2-yl 5-hydroxy-2-methylbenzoate (CID 126975717) is propan-2-yl 5-hydroxy-2-methylbenzoate.
What is the SMILES notation for propan-2-yl 5-hydroxy-2-methylbenzoate?
The canonical SMILES for propan-2-yl 5-hydroxy-2-methylbenzoate is Cc1ccc(O)cc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 5-hydroxy-2-methylbenzoate?
The InChIKey is PNITXKOGGBGRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7(2)14-11(13)10-6-9(12)5-4-8(10)3/h4-7,12H,1-3H3.
What are the key properties of propan-2-yl 5-hydroxy-2-methylbenzoate?
propan-2-yl 5-hydroxy-2-methylbenzoate has a molecular weight of 194.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-hydroxy-2-methylbenzoate is sourced from PubChem (CID 126975717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).