(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate

C19H20O7 — CID 2488136

IUPAC(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C19H20O7/c1-22-15-10-17(24-3)16(23-2)9-14(15)19(21)26-11-12-5-7-13(8-6-12)18(20)25-4/h5-10H,11H2,1-4H3
InChIKeyDCHVYQKQTWEVMH-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.86
Rot. Bonds7

About (4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate

(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate (PubChem CID 2488136) has the molecular formula C19H20O7 and a molecular weight of 360.36 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate
PubChem CID2488136
Molecular FormulaC19H20O7
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Name(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C19H20O7/c1-22-15-10-17(24-3)16(23-2)9-14(15)19(21)26-11-12-5-7-13(8-6-12)18(20)25-4/h5-10H,11H2,1-4H3
InChIKeyDCHVYQKQTWEVMH-UHFFFAOYSA-N
XLogP2.86
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2438152
(4-methoxycarbonylphenyl)methyl 2-bromo-5-methoxybenzoate
CID 2637273
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 895058
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
methyl 4-(carbonochloridoyloxymethyl)benzoate
CID 54328192
(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 894592
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
methyl 4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]oxymethyl]benzoate
CID 7726665
pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate
CID 43008926
(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 2379646

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate (CID 2488136) is (4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate is COC(=O)c1ccc(COC(=O)c2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate?
The InChIKey is DCHVYQKQTWEVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O7/c1-22-15-10-17(24-3)16(23-2)9-14(15)19(21)26-11-12-5-7-13(8-6-12)18(20)25-4/h5-10H,11H2,1-4H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate?
(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate has a molecular weight of 360.36 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate is sourced from PubChem (CID 2488136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).