propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate

C14H20O4S — CID 82550592

IUPACpropan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate
SMILESCC(C)OC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C14H20O4S/c1-10(2)18-14(15)9-12-5-7-13(8-6-12)19(16,17)11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyHRYHLQPKGBXPAJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.36
Rot. Bonds5

About propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate

propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate (PubChem CID 82550592) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate
PubChem CID82550592
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Namepropan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate
SMILESCC(C)OC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C14H20O4S/c1-10(2)18-14(15)9-12-5-7-13(8-6-12)19(16,17)11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyHRYHLQPKGBXPAJ-UHFFFAOYSA-N
XLogP2.36
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947
propan-2-yl 2-(4-nitrophenyl)acetate
CID 86145562
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771442
2-(4-propan-2-ylsulfonylphenyl)ethanol
CID 69406011
1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 16838369
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771435
N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838380
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771426
N-ethyl-N-phenyl-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771447

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate?
The IUPAC name of propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate (CID 82550592) is propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate?
The canonical SMILES for propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate is CC(C)OC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate?
The InChIKey is HRYHLQPKGBXPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4S/c1-10(2)18-14(15)9-12-5-7-13(8-6-12)19(16,17)11(3)4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate?
propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate has a molecular weight of 284.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate is sourced from PubChem (CID 82550592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).