2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate

C17H16O6 — CID 6424506

IUPAC2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccccc1C(=O)Oc1c(OC)cccc1OC
InChIInChI=1S/C17H16O6/c1-20-13-9-6-10-14(21-2)15(13)23-17(19)12-8-5-4-7-11(12)16(18)22-3/h4-10H,1-3H3
InChIKeyOFTGTGHBWRZAPY-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.71
Rot. Bonds5

About 2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate

2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate (PubChem CID 6424506) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
PubChem CID6424506
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccccc1C(=O)Oc1c(OC)cccc1OC
InChIInChI=1S/C17H16O6/c1-20-13-9-6-10-14(21-2)15(13)23-17(19)12-8-5-4-7-11(12)16(18)22-3/h4-10H,1-3H3
InChIKeyOFTGTGHBWRZAPY-UHFFFAOYSA-N
XLogP2.71
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
ethane;methyl 2-methoxybenzoate
CID 178037044
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6424489
[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 3-methoxy-2-methylbenzoate
CID 12527049
methyl 2-chloro-3-methoxybenzoate
CID 10262208
dimethyl 6-oxocyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 13416679
2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate
CID 10734366

Frequently Asked Questions

What is the IUPAC name of 2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate?
The IUPAC name of 2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate (CID 6424506) is 2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate?
The canonical SMILES for 2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate is COC(=O)c1ccccc1C(=O)Oc1c(OC)cccc1OC.
What is the InChIKey of 2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate?
The InChIKey is OFTGTGHBWRZAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c1-20-13-9-6-10-14(21-2)15(13)23-17(19)12-8-5-4-7-11(12)16(18)22-3/h4-10H,1-3H3.
What are the key properties of 2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate?
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate has a molecular weight of 316.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 6424506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).