[2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate

C13H16O7 — CID 58444255

IUPAC[2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
SMILESCOC(=O)OCc1ccc(OC)c(COC(=O)OC)c1
InChIInChI=1S/C13H16O7/c1-16-11-5-4-9(7-19-12(14)17-2)6-10(11)8-20-13(15)18-3/h4-6H,7-8H2,1-3H3
InChIKeyZOXTVLCFSFJELI-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.26
Rot. Bonds5

About [2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate

[2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate (PubChem CID 58444255) has the molecular formula C13H16O7 and a molecular weight of 284.26 g/mol. Its IUPAC name is [2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate.

Molecular Properties

Compound Name[2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
PubChem CID58444255
Molecular FormulaC13H16O7
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name[2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
SMILESCOC(=O)OCc1ccc(OC)c(COC(=O)OC)c1
InChIInChI=1S/C13H16O7/c1-16-11-5-4-9(7-19-12(14)17-2)6-10(11)8-20-13(15)18-3/h4-6H,7-8H2,1-3H3
InChIKeyZOXTVLCFSFJELI-UHFFFAOYSA-N
XLogP2.26
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[3-(acetyloxymethyl)-4-methoxyphenyl]-2-aminopropanoate
CID 170883870
[3-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate
CID 23220275
1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 83883722
O-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117286953
dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate
CID 171933870
2-(3-ethyl-4-methoxyphenyl)-N'-methylacetohydrazide
CID 116846195
(3-hydroxy-4-methoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10585997
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480
methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170883906
(5-acetyl-2-methoxyphenyl)methyl 2-(4-methylphenoxy)propanoate
CID 42903545
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate
CID 35968055

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate?
The IUPAC name of [2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate (CID 58444255) is [2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate.
What is the SMILES notation for [2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate?
The canonical SMILES for [2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate is COC(=O)OCc1ccc(OC)c(COC(=O)OC)c1.
What is the InChIKey of [2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate?
The InChIKey is ZOXTVLCFSFJELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O7/c1-16-11-5-4-9(7-19-12(14)17-2)6-10(11)8-20-13(15)18-3/h4-6H,7-8H2,1-3H3.
What are the key properties of [2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate?
[2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate has a molecular weight of 284.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(methoxycarbonyloxymethyl)phenyl]methyl methyl carbonate is sourced from PubChem (CID 58444255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).