propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate

C10H14O4 — CID 102354808

IUPACpropan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate
SMILESCc1ccc([C@@H](O)C(=O)OC(C)C)o1
InChIInChI=1S/C10H14O4/c1-6(2)13-10(12)9(11)8-5-4-7(3)14-8/h4-6,9,11H,1-3H3/t9-/m1/s1
InChIKeyXDRNYIZVGIFCQT-SECBINFHSA-N
MW198.22 g/mol
LogP1.57
Rot. Bonds3

About propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate

propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate (PubChem CID 102354808) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate
PubChem CID102354808
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namepropan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate
SMILESCc1ccc([C@@H](O)C(=O)OC(C)C)o1
InChIInChI=1S/C10H14O4/c1-6(2)13-10(12)9(11)8-5-4-7(3)14-8/h4-6,9,11H,1-3H3/t9-/m1/s1
InChIKeyXDRNYIZVGIFCQT-SECBINFHSA-N
XLogP1.57
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate?
The IUPAC name of propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate (CID 102354808) is propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate.
What is the SMILES notation for propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate?
The canonical SMILES for propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate is Cc1ccc([C@@H](O)C(=O)OC(C)C)o1.
What is the InChIKey of propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate?
The InChIKey is XDRNYIZVGIFCQT-SECBINFHSA-N. The full InChI is InChI=1S/C10H14O4/c1-6(2)13-10(12)9(11)8-5-4-7(3)14-8/h4-6,9,11H,1-3H3/t9-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate?
propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate has a molecular weight of 198.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate is sourced from PubChem (CID 102354808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).