methyl 2-[2-(2-oxopropyl)phenyl]acetate

C12H14O3 — CID 70551388

IUPACmethyl 2-[2-(2-oxopropyl)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CC(C)=O
InChIInChI=1S/C12H14O3/c1-9(13)7-10-5-3-4-6-11(10)8-12(14)15-2/h3-6H,7-8H2,1-2H3
InChIKeyLHOHRBPYTXJCCF-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.53
Rot. Bonds4

About methyl 2-[2-(2-oxopropyl)phenyl]acetate

methyl 2-[2-(2-oxopropyl)phenyl]acetate (PubChem CID 70551388) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 2-[2-(2-oxopropyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-oxopropyl)phenyl]acetate
PubChem CID70551388
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 2-[2-(2-oxopropyl)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CC(C)=O
InChIInChI=1S/C12H14O3/c1-9(13)7-10-5-3-4-6-11(10)8-12(14)15-2/h3-6H,7-8H2,1-2H3
InChIKeyLHOHRBPYTXJCCF-UHFFFAOYSA-N
XLogP1.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
methyl 2-(2-butylphenyl)acetate
CID 141125258
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
sodium 2-(2-methoxy-2-oxoethyl)phenolate
CID 162306929
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114917
methyl 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenyl]acetate
CID 115461831
methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate
CID 115031363
2-[2-(2-oxopropyl)phenyl]acetamide
CID 174561343
methyl 2-[2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]phenyl]acetate
CID 107865394
methyl 2-[2-(3-methylbut-3-enoxymethyl)phenyl]acetate
CID 114469955

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-oxopropyl)phenyl]acetate?
The IUPAC name of methyl 2-[2-(2-oxopropyl)phenyl]acetate (CID 70551388) is methyl 2-[2-(2-oxopropyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-(2-oxopropyl)phenyl]acetate?
The canonical SMILES for methyl 2-[2-(2-oxopropyl)phenyl]acetate is COC(=O)Cc1ccccc1CC(C)=O.
What is the InChIKey of methyl 2-[2-(2-oxopropyl)phenyl]acetate?
The InChIKey is LHOHRBPYTXJCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(13)7-10-5-3-4-6-11(10)8-12(14)15-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[2-(2-oxopropyl)phenyl]acetate?
methyl 2-[2-(2-oxopropyl)phenyl]acetate has a molecular weight of 206.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-oxopropyl)phenyl]acetate is sourced from PubChem (CID 70551388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).