methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate

C19H17NO6 — CID 10760652

IUPACmethyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(OC)c1C(=O)c1c(C#N)cccc1OC
InChIInChI=1S/C19H17NO6/c1-23-12-8-13(19(22)26-4)17(15(9-12)25-3)18(21)16-11(10-20)6-5-7-14(16)24-2/h5-9H,1-4H3
InChIKeyLGUQUHMCYQQKNR-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.60
Rot. Bonds6

About methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate

methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate (PubChem CID 10760652) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate
PubChem CID10760652
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Namemethyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(OC)c1C(=O)c1c(C#N)cccc1OC
InChIInChI=1S/C19H17NO6/c1-23-12-8-13(19(22)26-4)17(15(9-12)25-3)18(21)16-11(10-20)6-5-7-14(16)24-2/h5-9H,1-4H3
InChIKeyLGUQUHMCYQQKNR-UHFFFAOYSA-N
XLogP2.60
TPSA94.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3,5-dimethoxy-2-propanoylbenzoate
CID 6710788
methyl 5-cyano-8-methoxynaphthalene-1-carboxylate
CID 70552913
methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
CID 26676915
3-cyano-2-methoxycarbonylbenzoic acid
CID 91882336
methyl 3-bromo-2-cyano-5-methoxybenzoate
CID 131390372
methyl 4-cyano-5-iodo-2-methoxybenzoate
CID 131602353
methyl 5-(chloromethyl)-2-cyano-4-methoxybenzoate
CID 131373857
2-O-ethyl 1-O-methyl 3-cyanobenzene-1,2-dicarboxylate
CID 91882348
methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate
CID 122145206
methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326808
methyl 2-(2,6-dimethoxy-4-methylbenzoyl)-3-methoxy-5-sulfooxybenzoate
CID 156581974
methyl 2-bromo-6-cyanobenzoate
CID 91882284

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate?
The IUPAC name of methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate (CID 10760652) is methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate is COC(=O)c1cc(OC)cc(OC)c1C(=O)c1c(C#N)cccc1OC.
What is the InChIKey of methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate?
The InChIKey is LGUQUHMCYQQKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-23-12-8-13(19(22)26-4)17(15(9-12)25-3)18(21)16-11(10-20)6-5-7-14(16)24-2/h5-9H,1-4H3.
What are the key properties of methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate?
methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate has a molecular weight of 355.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate is sourced from PubChem (CID 10760652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).