(3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate

C19H22O5 — CID 18154749

IUPAC(3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate
SMILESCOc1cc(COC(=O)c2cc(C)cc(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H22O5/c1-12-6-13(2)8-15(7-12)19(20)24-11-14-9-16(21-3)18(23-5)17(10-14)22-4/h6-10H,11H2,1-5H3
InChIKeyWUVPMUXFIMYDOY-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.69
Rot. Bonds6

About (3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate

(3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate (PubChem CID 18154749) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate.

Molecular Properties

Compound Name(3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate
PubChem CID18154749
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate
SMILESCOc1cc(COC(=O)c2cc(C)cc(C)c2)cc(OC)c1OC
InChIInChI=1S/C19H22O5/c1-12-6-13(2)8-15(7-12)19(20)24-11-14-9-16(21-3)18(23-5)17(10-14)22-4/h6-10H,11H2,1-5H3
InChIKeyWUVPMUXFIMYDOY-UHFFFAOYSA-N
XLogP3.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
CID 9095626
(3,4,5-trimethoxyphenyl)methyl 3-chlorobenzoate
CID 18150581
(3,4,5-trimethoxyphenyl)methyl naphthalene-2-carboxylate
CID 9244590
benzyl 3,5-dimethylbenzoate
CID 54359872
(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate
CID 9095553
(2,3,4,5,6-pentafluorophenyl)methyl 3,4,5-trimethoxybenzoate
CID 8013600
(4-tert-butyl-2,6-dimethylphenyl)methyl 3,4,5-trimethoxybenzoate
CID 2425617
(3,4,5-trimethoxyphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate
CID 9095580
iodomethyl 3,4,5-trimethoxybenzoate
CID 19866330
(3,4,5-trimethoxyphenyl)methyl 4-chloro-3-nitrobenzoate
CID 9095593
[4-[(3,5-dimethylbenzoyl)oxymethyl]phenyl]methyl-[[4-[[[4-[(3,5-dimethylbenzoyl)oxymethyl]phenyl]methylazaniumyl]methyl]phenyl]methyl]azanium
CID 101211856
cyanomethyl 3,4,5-trimethoxybenzoate
CID 2681800

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate?
The IUPAC name of (3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate (CID 18154749) is (3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate.
What is the SMILES notation for (3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate?
The canonical SMILES for (3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate is COc1cc(COC(=O)c2cc(C)cc(C)c2)cc(OC)c1OC.
What is the InChIKey of (3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate?
The InChIKey is WUVPMUXFIMYDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-12-6-13(2)8-15(7-12)19(20)24-11-14-9-16(21-3)18(23-5)17(10-14)22-4/h6-10H,11H2,1-5H3.
What are the key properties of (3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate?
(3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate has a molecular weight of 330.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethoxyphenyl)methyl 3,5-dimethylbenzoate is sourced from PubChem (CID 18154749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).