(2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate

C16H22O3 — CID 127259824

IUPAC(2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate
SMILESCC1(C)COC(C)(C)C1OC(=O)Cc1ccccc1
InChIInChI=1S/C16H22O3/c1-15(2)11-18-16(3,4)14(15)19-13(17)10-12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3
InChIKeyVFAUFTJOWDZNPC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.98
Rot. Bonds3

About (2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate

(2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate (PubChem CID 127259824) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate.

Molecular Properties

Compound Name(2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate
PubChem CID127259824
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate
SMILESCC1(C)COC(C)(C)C1OC(=O)Cc1ccccc1
InChIInChI=1S/C16H22O3/c1-15(2)11-18-16(3,4)14(15)19-13(17)10-12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3
InChIKeyVFAUFTJOWDZNPC-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate?
The IUPAC name of (2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate (CID 127259824) is (2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate.
What is the SMILES notation for (2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate?
The canonical SMILES for (2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate is CC1(C)COC(C)(C)C1OC(=O)Cc1ccccc1.
What is the InChIKey of (2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate?
The InChIKey is VFAUFTJOWDZNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-15(2)11-18-16(3,4)14(15)19-13(17)10-12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3.
What are the key properties of (2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate?
(2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate has a molecular weight of 262.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,4,4-tetramethyloxolan-3-yl) 2-phenylacetate is sourced from PubChem (CID 127259824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).