methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate

C20H24O6 — CID 139404388

IUPACmethyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate
SMILESCOC(=O)c1c(COCc2ccc(OC)cc2)cc(C)c(OC)c1OC
InChIInChI=1S/C20H24O6/c1-13-10-15(12-26-11-14-6-8-16(22-2)9-7-14)17(20(21)25-5)19(24-4)18(13)23-3/h6-10H,11-12H2,1-5H3
InChIKeyMAKKQIVASMGKLQ-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.52
Rot. Bonds8

About methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate

methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate (PubChem CID 139404388) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate
PubChem CID139404388
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Namemethyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate
SMILESCOC(=O)c1c(COCc2ccc(OC)cc2)cc(C)c(OC)c1OC
InChIInChI=1S/C20H24O6/c1-13-10-15(12-26-11-14-6-8-16(22-2)9-7-14)17(20(21)25-5)19(24-4)18(13)23-3/h6-10H,11-12H2,1-5H3
InChIKeyMAKKQIVASMGKLQ-UHFFFAOYSA-N
XLogP3.52
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(4-methoxyphenyl)acetyl]oxy-3-methylbenzoate
CID 53243231
(2S)-3-[4-methoxy-2-[(4-methoxyphenyl)methoxymethyl]-5-methyl-3-phenylmethoxyphenyl]-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 11192484
methyl 3-[4-methoxy-2-[(4-methoxyphenyl)methoxymethyl]-5-methyl-3-phenylmethoxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 173484374
methyl 3,4-dihydroxy-6-[2-(4-methoxyphenyl)ethyl]-2-methylbenzoate
CID 175431857
methyl 2-[3-ethyl-4-(4-methoxyphenoxy)-5-methylphenyl]acetate
CID 144504941
methyl 2-(chloromethyl)-4-methoxy-6-methylbenzoate
CID 171022992
methyl 5-[[2-[(4-methoxyphenyl)methoxy]acetyl]amino]-1-methylpyrazole-3-carboxylate
CID 136570895
dimethyl 5-amino-3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]thiophene-2,4-dicarboxylate
CID 8011413
4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide
CID 114483735
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
(4-methoxyphenyl)methoxymethyl 4-methylbenzoate
CID 15498572
2-(fluoromethoxy)-6-[(4-methoxyphenyl)methoxymethyl]benzamide
CID 90852782

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate?
The IUPAC name of methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate (CID 139404388) is methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate.
What is the SMILES notation for methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate?
The canonical SMILES for methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate is COC(=O)c1c(COCc2ccc(OC)cc2)cc(C)c(OC)c1OC.
What is the InChIKey of methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate?
The InChIKey is MAKKQIVASMGKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O6/c1-13-10-15(12-26-11-14-6-8-16(22-2)9-7-14)17(20(21)25-5)19(24-4)18(13)23-3/h6-10H,11-12H2,1-5H3.
What are the key properties of methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate?
methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate has a molecular weight of 360.41 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate is sourced from PubChem (CID 139404388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).