methyl 2-(2,3,6-trimethoxybenzoyl)benzoate

C18H18O6 — CID 10640148

IUPACmethyl 2-(2,3,6-trimethoxybenzoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1c(OC)ccc(OC)c1OC
InChIInChI=1S/C18H18O6/c1-21-13-9-10-14(22-2)17(23-3)15(13)16(19)11-7-5-6-8-12(11)18(20)24-4/h5-10H,1-4H3
InChIKeyNMMPDJRNFPSXEC-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.73
Rot. Bonds6

About methyl 2-(2,3,6-trimethoxybenzoyl)benzoate

methyl 2-(2,3,6-trimethoxybenzoyl)benzoate (PubChem CID 10640148) has the molecular formula C18H18O6 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 2-(2,3,6-trimethoxybenzoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2,3,6-trimethoxybenzoyl)benzoate
PubChem CID10640148
Molecular FormulaC18H18O6
Molecular Weight330.34 g/mol
Exact Mass330.11
IUPAC Namemethyl 2-(2,3,6-trimethoxybenzoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1c(OC)ccc(OC)c1OC
InChIInChI=1S/C18H18O6/c1-21-13-9-10-14(22-2)17(23-3)15(13)16(19)11-7-5-6-8-12(11)18(20)24-4/h5-10H,1-4H3
InChIKeyNMMPDJRNFPSXEC-UHFFFAOYSA-N
XLogP2.73
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
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
ethane;methyl 2-methoxybenzoate
CID 178037044
oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium
CID 173245628
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone
CID 141015987
methyl 2-(2-aminobenzoyl)benzoate
CID 83381352
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3,6-trimethoxybenzoyl)benzoate?
The IUPAC name of methyl 2-(2,3,6-trimethoxybenzoyl)benzoate (CID 10640148) is methyl 2-(2,3,6-trimethoxybenzoyl)benzoate.
What is the SMILES notation for methyl 2-(2,3,6-trimethoxybenzoyl)benzoate?
The canonical SMILES for methyl 2-(2,3,6-trimethoxybenzoyl)benzoate is COC(=O)c1ccccc1C(=O)c1c(OC)ccc(OC)c1OC.
What is the InChIKey of methyl 2-(2,3,6-trimethoxybenzoyl)benzoate?
The InChIKey is NMMPDJRNFPSXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O6/c1-21-13-9-10-14(22-2)17(23-3)15(13)16(19)11-7-5-6-8-12(11)18(20)24-4/h5-10H,1-4H3.
What are the key properties of methyl 2-(2,3,6-trimethoxybenzoyl)benzoate?
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate has a molecular weight of 330.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3,6-trimethoxybenzoyl)benzoate is sourced from PubChem (CID 10640148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).