methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate

C18H20O5 — CID 19861876

IUPACmethyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20O5/c1-20-15-10-13(11-16(21-2)17(15)22-3)9-12-5-7-14(8-6-12)18(19)23-4/h5-8,10-11H,9H2,1-4H3
InChIKeySPFQOIRGLYJSGU-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.09
Rot. Bonds6

About methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate

methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate (PubChem CID 19861876) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate
PubChem CID19861876
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Namemethyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20O5/c1-20-15-10-13(11-16(21-2)17(15)22-3)9-12-5-7-14(8-6-12)18(19)23-4/h5-8,10-11H,9H2,1-4H3
InChIKeySPFQOIRGLYJSGU-UHFFFAOYSA-N
XLogP3.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 4-[(4-aminophenyl)methyl]benzoate
CID 68972848
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
[4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid
CID 87545769
methyl 4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethoxy]benzoate
CID 2495618
methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate
CID 2673308
methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate
CID 155916138
methyl 4-[2-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxyphenyl]ethyl]benzoate
CID 171933762
(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate
CID 9095553
(4-methoxycarbonylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2488136
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
CID 18106700

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate?
The IUPAC name of methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate (CID 19861876) is methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate?
The canonical SMILES for methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate is COC(=O)c1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate?
The InChIKey is SPFQOIRGLYJSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-20-15-10-13(11-16(21-2)17(15)22-3)9-12-5-7-14(8-6-12)18(19)23-4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate?
methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate has a molecular weight of 316.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate is sourced from PubChem (CID 19861876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).