(2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate

C10H12O7S — CID 88541783

IUPAC(2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate
SMILESCOC(=O)Oc1ccc(OS(C)(=O)=O)c(OC)c1
InChIInChI=1S/C10H12O7S/c1-14-9-6-7(16-10(11)15-2)4-5-8(9)17-18(3,12)13/h4-6H,1-3H3
InChIKeyIIDYFWDAAHYOTD-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.18
Rot. Bonds4

About (2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate

(2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate (PubChem CID 88541783) has the molecular formula C10H12O7S and a molecular weight of 276.27 g/mol. Its IUPAC name is (2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate.

Molecular Properties

Compound Name(2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate
PubChem CID88541783
Molecular FormulaC10H12O7S
Molecular Weight276.27 g/mol
Exact Mass276.03
IUPAC Name(2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate
SMILESCOC(=O)Oc1ccc(OS(C)(=O)=O)c(OC)c1
InChIInChI=1S/C10H12O7S/c1-14-9-6-7(16-10(11)15-2)4-5-8(9)17-18(3,12)13/h4-6H,1-3H3
InChIKeyIIDYFWDAAHYOTD-UHFFFAOYSA-N
XLogP1.18
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethoxyphenyl) methyl carbonate
CID 175298051
(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate
CID 15365306
(3,4-dimethoxyphenyl) acetate
CID 593001
(4-methoxy-3-methylphenyl) methanesulfonate
CID 88542122
(4-formyl-2-methoxyphenyl) methanesulfonate
CID 3650004
ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
(3,4-dimethoxyphenyl) 2,2,2-trifluoroacetate
CID 70293212
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
(2,5-dimethoxyphenyl) sulfamate
CID 56992916
(4-acetamido-3-methoxyphenyl) sulfate
CID 122164830
(3,4-dimethoxyphenyl) nitroformate
CID 57088583
(4-methoxy-3-propan-2-yloxyphenyl) acetate
CID 10656751

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate?
The IUPAC name of (2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate (CID 88541783) is (2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate.
What is the SMILES notation for (2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate?
The canonical SMILES for (2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate is COC(=O)Oc1ccc(OS(C)(=O)=O)c(OC)c1.
What is the InChIKey of (2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate?
The InChIKey is IIDYFWDAAHYOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O7S/c1-14-9-6-7(16-10(11)15-2)4-5-8(9)17-18(3,12)13/h4-6H,1-3H3.
What are the key properties of (2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate?
(2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate has a molecular weight of 276.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methoxycarbonyloxyphenyl) methanesulfonate is sourced from PubChem (CID 88541783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).