[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate

C14H18O5 — CID 3609489

IUPAC[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate
SMILESCOc1cc(COC(C)=O)c(C)c(COC(C)=O)c1
InChIInChI=1S/C14H18O5/c1-9-12(7-18-10(2)15)5-14(17-4)6-13(9)8-19-11(3)16/h5-6H,7-8H2,1-4H3
InChIKeyDVJVFOFNHPBIGT-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.13
Rot. Bonds5

About [3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate

[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate (PubChem CID 3609489) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is [3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate.

Molecular Properties

Compound Name[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate
PubChem CID3609489
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate
SMILESCOc1cc(COC(C)=O)c(C)c(COC(C)=O)c1
InChIInChI=1S/C14H18O5/c1-9-12(7-18-10(2)15)5-14(17-4)6-13(9)8-19-11(3)16/h5-6H,7-8H2,1-4H3
InChIKeyDVJVFOFNHPBIGT-UHFFFAOYSA-N
XLogP2.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
[5-(acetyloxymethyl)-3-bromo-2,4-dimethylphenyl]methyl acetate
CID 86673308
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
(5-methoxy-2-nitrophenyl)methyl acetate
CID 70659279
[3,7,8-tris(acetyloxymethyl)phenazin-2-yl]methyl acetate
CID 2748014
(2,5-diacetyloxy-3-chlorophenyl)methyl acetate
CID 593738
1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one
CID 84665339
3-ethyl-5-methoxy-2-methylaniline
CID 131487769
1,3,5-trimethoxybenzene;urea
CID 174919725
[2-[4-(4-methoxyphenyl)sulfonylphenoxy]-3-methyl-5-(3,4,5-trimethylphenyl)phenyl]methyl acetate
CID 59203756
[2-(acetyloxymethyl)-4-methylsulfonyloxyphenyl]methyl acetate
CID 137358044
1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one
CID 117287584

Frequently Asked Questions

What is the IUPAC name of [3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate?
The IUPAC name of [3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate (CID 3609489) is [3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate.
What is the SMILES notation for [3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate?
The canonical SMILES for [3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate is COc1cc(COC(C)=O)c(C)c(COC(C)=O)c1.
What is the InChIKey of [3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate?
The InChIKey is DVJVFOFNHPBIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-9-12(7-18-10(2)15)5-14(17-4)6-13(9)8-19-11(3)16/h5-6H,7-8H2,1-4H3.
What are the key properties of [3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate?
[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate has a molecular weight of 266.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate is sourced from PubChem (CID 3609489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).