(2-methyl-1-phenylpropan-2-yl) acetate

C12H16O2 — CID 9024

IUPAC(2-methyl-1-phenylpropan-2-yl) acetate
SMILESCC(=O)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKeyFLUWAIIVLCVEKF-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.57
Rot. Bonds3

About (2-methyl-1-phenylpropan-2-yl) acetate

(2-methyl-1-phenylpropan-2-yl) acetate (PubChem CID 9024) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2-methyl-1-phenylpropan-2-yl) acetate.

Molecular Properties

Compound Name(2-methyl-1-phenylpropan-2-yl) acetate
PubChem CID9024
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2-methyl-1-phenylpropan-2-yl) acetate
SMILESCC(=O)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKeyFLUWAIIVLCVEKF-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenylpropan-2-yl) acetate?
The IUPAC name of (2-methyl-1-phenylpropan-2-yl) acetate (CID 9024) is (2-methyl-1-phenylpropan-2-yl) acetate.
What is the SMILES notation for (2-methyl-1-phenylpropan-2-yl) acetate?
The canonical SMILES for (2-methyl-1-phenylpropan-2-yl) acetate is CC(=O)OC(C)(C)Cc1ccccc1.
What is the InChIKey of (2-methyl-1-phenylpropan-2-yl) acetate?
The InChIKey is FLUWAIIVLCVEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3.
What are the key properties of (2-methyl-1-phenylpropan-2-yl) acetate?
(2-methyl-1-phenylpropan-2-yl) acetate has a molecular weight of 192.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phenylpropan-2-yl) acetate is sourced from PubChem (CID 9024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).