(2-acetyloxy-5-methoxyphenyl)methyl acetate

C12H14O5 — CID 14531143

IUPAC(2-acetyloxy-5-methoxyphenyl)methyl acetate
SMILESCOc1ccc(OC(C)=O)c(COC(C)=O)c1
InChIInChI=1S/C12H14O5/c1-8(13)16-7-10-6-11(15-3)4-5-12(10)17-9(2)14/h4-6H,7H2,1-3H3
InChIKeyVLZGMYIBIOUUTD-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.68
Rot. Bonds4

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

(2-acetyloxy-5-methoxyphenyl)methyl acetate (PubChem CID 14531143) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2-acetyloxy-5-methoxyphenyl)methyl acetate.

Molecular Properties

Compound Name(2-acetyloxy-5-methoxyphenyl)methyl acetate
PubChem CID14531143
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name(2-acetyloxy-5-methoxyphenyl)methyl acetate
SMILESCOc1ccc(OC(C)=O)c(COC(C)=O)c1
InChIInChI=1S/C12H14O5/c1-8(13)16-7-10-6-11(15-3)4-5-12(10)17-9(2)14/h4-6H,7H2,1-3H3
InChIKeyVLZGMYIBIOUUTD-UHFFFAOYSA-N
XLogP1.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
[4-methoxy-2-[(2S)-2-methyl-3-oxobutyl]phenyl] acetate
CID 132990171
[2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate
CID 59680629
(2-acetyloxyphenyl)methyl acetate
CID 10889107
[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate
CID 3609489
(5-methoxy-2-nitrophenyl)methyl acetate
CID 70659279
methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate
CID 54212721
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
[2-(hydrazinylmethyl)-5-methoxyphenyl] acetate
CID 67761426
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
3-(acetyloxymethyl)-4-methoxybenzenediazonium
CID 134878132
(4-acetyloxy-3-heptylphenyl) acetate
CID 15642754

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-5-methoxyphenyl)methyl acetate?
The IUPAC name of (2-acetyloxy-5-methoxyphenyl)methyl acetate (CID 14531143) is (2-acetyloxy-5-methoxyphenyl)methyl acetate.
What is the SMILES notation for (2-acetyloxy-5-methoxyphenyl)methyl acetate?
The canonical SMILES for (2-acetyloxy-5-methoxyphenyl)methyl acetate is COc1ccc(OC(C)=O)c(COC(C)=O)c1.
What is the InChIKey of (2-acetyloxy-5-methoxyphenyl)methyl acetate?
The InChIKey is VLZGMYIBIOUUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-8(13)16-7-10-6-11(15-3)4-5-12(10)17-9(2)14/h4-6H,7H2,1-3H3.
What are the key properties of (2-acetyloxy-5-methoxyphenyl)methyl acetate?
(2-acetyloxy-5-methoxyphenyl)methyl acetate has a molecular weight of 238.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-5-methoxyphenyl)methyl acetate is sourced from PubChem (CID 14531143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).