methyl 2-(2,6-dimethoxybenzoyl)benzoate

C17H16O5 — CID 71397959

IUPACmethyl 2-(2,6-dimethoxybenzoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C17H16O5/c1-20-13-9-6-10-14(21-2)15(13)16(18)11-7-4-5-8-12(11)17(19)22-3/h4-10H,1-3H3
InChIKeyLKKRRBUXCKCFSA-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.72
Rot. Bonds5

About methyl 2-(2,6-dimethoxybenzoyl)benzoate

methyl 2-(2,6-dimethoxybenzoyl)benzoate (PubChem CID 71397959) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 2-(2,6-dimethoxybenzoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2,6-dimethoxybenzoyl)benzoate
PubChem CID71397959
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Namemethyl 2-(2,6-dimethoxybenzoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C17H16O5/c1-20-13-9-6-10-14(21-2)15(13)16(18)11-7-4-5-8-12(11)17(19)22-3/h4-10H,1-3H3
InChIKeyLKKRRBUXCKCFSA-UHFFFAOYSA-N
XLogP2.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148
ethane;methyl 2-methoxybenzoate
CID 178037044
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 3-methoxy-2-methylbenzoate
CID 12527049
methyl 2-chloro-3-methoxybenzoate
CID 10262208
methyl 2-(1-bromoethenyl)-3-methoxybenzoate
CID 101402168
dimethyl 6-oxocyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 13416679
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dimethoxybenzoyl)benzoate?
The IUPAC name of methyl 2-(2,6-dimethoxybenzoyl)benzoate (CID 71397959) is methyl 2-(2,6-dimethoxybenzoyl)benzoate.
What is the SMILES notation for methyl 2-(2,6-dimethoxybenzoyl)benzoate?
The canonical SMILES for methyl 2-(2,6-dimethoxybenzoyl)benzoate is COC(=O)c1ccccc1C(=O)c1c(OC)cccc1OC.
What is the InChIKey of methyl 2-(2,6-dimethoxybenzoyl)benzoate?
The InChIKey is LKKRRBUXCKCFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-20-13-9-6-10-14(21-2)15(13)16(18)11-7-4-5-8-12(11)17(19)22-3/h4-10H,1-3H3.
What are the key properties of methyl 2-(2,6-dimethoxybenzoyl)benzoate?
methyl 2-(2,6-dimethoxybenzoyl)benzoate has a molecular weight of 300.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dimethoxybenzoyl)benzoate is sourced from PubChem (CID 71397959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).