propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate

C14H18O4 — CID 54942552

IUPACpropan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
SMILESCC(=O)c1cc(C)ccc1OCC(=O)OC(C)C
InChIInChI=1S/C14H18O4/c1-9(2)18-14(16)8-17-13-6-5-10(3)7-12(13)11(4)15/h5-7,9H,8H2,1-4H3
InChIKeyACLZJOHYEKCTBE-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.53
Rot. Bonds5

About propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate

propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate (PubChem CID 54942552) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
PubChem CID54942552
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namepropan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
SMILESCC(=O)c1cc(C)ccc1OCC(=O)OC(C)C
InChIInChI=1S/C14H18O4/c1-9(2)18-14(16)8-17-13-6-5-10(3)7-12(13)11(4)15/h5-7,9H,8H2,1-4H3
InChIKeyACLZJOHYEKCTBE-UHFFFAOYSA-N
XLogP2.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-(2-acetyl-4-chlorophenoxy)acetate
CID 55021490
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate
CID 63323185
2-(2-acetyl-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 60627416
propan-2-yl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63326690
2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide
CID 43388654
1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone
CID 63988643
1-[5-methyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]ethanone
CID 63902310
1-[2-(2-hydroxy-2-methylbutoxy)-5-methylphenyl]ethanone
CID 114493917
propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate
CID 63324667
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885650
propan-2-yl 2-(2-carbamoylphenoxy)acetate
CID 24633131

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate?
The IUPAC name of propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate (CID 54942552) is propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate?
The canonical SMILES for propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate is CC(=O)c1cc(C)ccc1OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate?
The InChIKey is ACLZJOHYEKCTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-9(2)18-14(16)8-17-13-6-5-10(3)7-12(13)11(4)15/h5-7,9H,8H2,1-4H3.
What are the key properties of propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate?
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate has a molecular weight of 250.29 g/mol, XLogP of 2.53, 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-(2-acetyl-4-methylphenoxy)acetate is sourced from PubChem (CID 54942552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).