methyl 2-(2-acetyl-5-methoxyphenyl)acetate

C12H14O4 — CID 10632802

IUPACmethyl 2-(2-acetyl-5-methoxyphenyl)acetate
SMILESCOC(=O)Cc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C12H14O4/c1-8(13)11-5-4-10(15-2)6-9(11)7-12(14)16-3/h4-6H,7H2,1-3H3
InChIKeyXLESVUHSMDUPFT-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.61
Rot. Bonds4

About methyl 2-(2-acetyl-5-methoxyphenyl)acetate

methyl 2-(2-acetyl-5-methoxyphenyl)acetate (PubChem CID 10632802) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 2-(2-acetyl-5-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-acetyl-5-methoxyphenyl)acetate
PubChem CID10632802
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namemethyl 2-(2-acetyl-5-methoxyphenyl)acetate
SMILESCOC(=O)Cc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C12H14O4/c1-8(13)11-5-4-10(15-2)6-9(11)7-12(14)16-3/h4-6H,7H2,1-3H3
InChIKeyXLESVUHSMDUPFT-UHFFFAOYSA-N
XLogP1.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone
CID 58236539
(2-oxo-1-pyridinyl) 4-methoxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 15379325
methyl 5-[2-(2-acetyl-5-methoxyphenyl)ethyl]-2-hydroxybenzoate
CID 25022723
methyl 2-(2-cyano-4-methoxyphenyl)acetate
CID 67407512
hexakis(2-acetyl-5-methoxyphenolate);tris(manganese(2+))
CID 139070317
methyl 2-[5-methoxy-2-(4-methoxy-2-nitrophenyl)phenyl]acetate
CID 164598415
(4-acetyl-3-ethylphenyl) hypofluorite
CID 153392017
2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
CID 70232732
2-ethyl-4-methoxybenzoate
CID 23362607
4-O-[4-acetyl-3-(4-methoxy-4-oxobutanoyl)oxyphenyl] 1-O-methyl butanedioate
CID 70480452

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetyl-5-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(2-acetyl-5-methoxyphenyl)acetate (CID 10632802) is methyl 2-(2-acetyl-5-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-acetyl-5-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-acetyl-5-methoxyphenyl)acetate is COC(=O)Cc1cc(OC)ccc1C(C)=O.
What is the InChIKey of methyl 2-(2-acetyl-5-methoxyphenyl)acetate?
The InChIKey is XLESVUHSMDUPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-8(13)11-5-4-10(15-2)6-9(11)7-12(14)16-3/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-(2-acetyl-5-methoxyphenyl)acetate?
methyl 2-(2-acetyl-5-methoxyphenyl)acetate has a molecular weight of 222.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetyl-5-methoxyphenyl)acetate is sourced from PubChem (CID 10632802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).