methyl 2-methoxy-6-methoxycarbonyloxybenzoate

C11H12O6 — CID 174850482

IUPACmethyl 2-methoxy-6-methoxycarbonyloxybenzoate
SMILESCOC(=O)Oc1cccc(OC)c1C(=O)OC
InChIInChI=1S/C11H12O6/c1-14-7-5-4-6-8(17-11(13)16-3)9(7)10(12)15-2/h4-6H,1-3H3
InChIKeyCTMGJMFLLOYEDK-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.63
Rot. Bonds3

About methyl 2-methoxy-6-methoxycarbonyloxybenzoate

methyl 2-methoxy-6-methoxycarbonyloxybenzoate (PubChem CID 174850482) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is methyl 2-methoxy-6-methoxycarbonyloxybenzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-methoxycarbonyloxybenzoate
PubChem CID174850482
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Namemethyl 2-methoxy-6-methoxycarbonyloxybenzoate
SMILESCOC(=O)Oc1cccc(OC)c1C(=O)OC
InChIInChI=1S/C11H12O6/c1-14-7-5-4-6-8(17-11(13)16-3)9(7)10(12)15-2/h4-6H,1-3H3
InChIKeyCTMGJMFLLOYEDK-UHFFFAOYSA-N
XLogP1.63
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
methyl 2-formyl-6-methoxybenzoate
CID 12730360
methyl 2-iodo-6-methoxybenzoate
CID 91882308
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
3-acetyloxy-2-methoxycarbonylbenzoic acid
CID 138974529
acetyl 2,6-dimethoxybenzoate
CID 57154954
tris[(2,6-dimethoxybenzoyl)oxy]plumbyl 2,6-dimethoxybenzoate
CID 16688900
methyl 2-chloro-3-methoxybenzoate
CID 10262208
methyl (9-oxofluoren-4-yl) carbonate
CID 67416838
[1-(carbamoylamino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 16523519
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513592
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-methoxycarbonyloxybenzoate?
The IUPAC name of methyl 2-methoxy-6-methoxycarbonyloxybenzoate (CID 174850482) is methyl 2-methoxy-6-methoxycarbonyloxybenzoate.
What is the SMILES notation for methyl 2-methoxy-6-methoxycarbonyloxybenzoate?
The canonical SMILES for methyl 2-methoxy-6-methoxycarbonyloxybenzoate is COC(=O)Oc1cccc(OC)c1C(=O)OC.
What is the InChIKey of methyl 2-methoxy-6-methoxycarbonyloxybenzoate?
The InChIKey is CTMGJMFLLOYEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-14-7-5-4-6-8(17-11(13)16-3)9(7)10(12)15-2/h4-6H,1-3H3.
What are the key properties of methyl 2-methoxy-6-methoxycarbonyloxybenzoate?
methyl 2-methoxy-6-methoxycarbonyloxybenzoate has a molecular weight of 240.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-methoxycarbonyloxybenzoate is sourced from PubChem (CID 174850482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).