propan-2-yl 2-phenylpropanoate

C12H16O2 — CID 10965354

IUPACpropan-2-yl 2-phenylpropanoate
SMILESCC(C)OC(=O)C(C)c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)14-12(13)10(3)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyPLBPZACPOTWOJD-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.74
Rot. Bonds3

About propan-2-yl 2-phenylpropanoate

propan-2-yl 2-phenylpropanoate (PubChem CID 10965354) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is propan-2-yl 2-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-phenylpropanoate
PubChem CID10965354
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namepropan-2-yl 2-phenylpropanoate
SMILESCC(C)OC(=O)C(C)c1ccccc1
InChIInChI=1S/C12H16O2/c1-9(2)14-12(13)10(3)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyPLBPZACPOTWOJD-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-phenylpropanoate?
The IUPAC name of propan-2-yl 2-phenylpropanoate (CID 10965354) is propan-2-yl 2-phenylpropanoate.
What is the SMILES notation for propan-2-yl 2-phenylpropanoate?
The canonical SMILES for propan-2-yl 2-phenylpropanoate is CC(C)OC(=O)C(C)c1ccccc1.
What is the InChIKey of propan-2-yl 2-phenylpropanoate?
The InChIKey is PLBPZACPOTWOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)14-12(13)10(3)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of propan-2-yl 2-phenylpropanoate?
propan-2-yl 2-phenylpropanoate has a molecular weight of 192.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-phenylpropanoate is sourced from PubChem (CID 10965354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).