methyl 3,4,5-trimethoxybenzoate

C11H14O5 — CID 15956

IUPACmethyl 3,4,5-trimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
InChIKeyKACHFMOHOPLTNX-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.50
Rot. Bonds4

About methyl 3,4,5-trimethoxybenzoate

methyl 3,4,5-trimethoxybenzoate (PubChem CID 15956) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Namemethyl 3,4,5-trimethoxybenzoate
PubChem CID15956
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namemethyl 3,4,5-trimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
InChIKeyKACHFMOHOPLTNX-UHFFFAOYSA-N
XLogP1.50
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Propyl Gallate
CID 4947
Vanillic Acid
CID 8468
Octyl Gallate
CID 61253
Syringic Acid
CID 10742
Dodecyl Gallate
CID 14425
Veratric Acid
CID 7121
2,4,5-Trimethoxybenzaldehyde
CID 20525
3,4,5-Trimethoxybenzoic Acid
CID 8357
Methyl Gallate
CID 7428
Veratraldehyde
CID 8419
Ethyl gallate
CID 13250
Methyl anisate
CID 8499

Frequently Asked Questions

What is the IUPAC name of methyl 3,4,5-trimethoxybenzoate?
The IUPAC name of methyl 3,4,5-trimethoxybenzoate (CID 15956) is methyl 3,4,5-trimethoxybenzoate.
What is the SMILES notation for methyl 3,4,5-trimethoxybenzoate?
The canonical SMILES for methyl 3,4,5-trimethoxybenzoate is COC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 3,4,5-trimethoxybenzoate?
The InChIKey is KACHFMOHOPLTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3.
What are the key properties of methyl 3,4,5-trimethoxybenzoate?
methyl 3,4,5-trimethoxybenzoate has a molecular weight of 226.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 15956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).