(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate

C17H18O5 — CID 18155855

IUPAC(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2cc(OC)ccc2OC)c1
InChIInChI=1S/C17H18O5/c1-19-14-6-4-5-12(9-14)17(18)22-11-13-10-15(20-2)7-8-16(13)21-3/h4-10H,11H2,1-3H3
InChIKeyMRKGJFFIXPBAOT-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.07
Rot. Bonds6

About (2,5-dimethoxyphenyl)methyl 3-methoxybenzoate

(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate (PubChem CID 18155855) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl 3-methoxybenzoate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
PubChem CID18155855
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2cc(OC)ccc2OC)c1
InChIInChI=1S/C17H18O5/c1-19-14-6-4-5-12(9-14)17(18)22-11-13-10-15(20-2)7-8-16(13)21-3/h4-10H,11H2,1-3H3
InChIKeyMRKGJFFIXPBAOT-UHFFFAOYSA-N
XLogP3.07
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8808611
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
(2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate
CID 2215684
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
(5-acetyl-2-methoxyphenyl)methyl 3-cyanobenzoate
CID 7454549
(2,3-dimethoxyphenyl)methyl 3-phenoxybenzoate
CID 7921133
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(2,5-dimethoxyphenyl)methyl 2-methylfuran-3-carboxylate
CID 78815298
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
(5-formyl-2-methoxyphenyl)methyl benzoate
CID 11558087
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051
methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate
CID 110766971

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl 3-methoxybenzoate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl 3-methoxybenzoate (CID 18155855) is (2,5-dimethoxyphenyl)methyl 3-methoxybenzoate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl 3-methoxybenzoate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl 3-methoxybenzoate is COc1cccc(C(=O)OCc2cc(OC)ccc2OC)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl 3-methoxybenzoate?
The InChIKey is MRKGJFFIXPBAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-19-14-6-4-5-12(9-14)17(18)22-11-13-10-15(20-2)7-8-16(13)21-3/h4-10H,11H2,1-3H3.
What are the key properties of (2,5-dimethoxyphenyl)methyl 3-methoxybenzoate?
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate has a molecular weight of 302.33 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyl 3-methoxybenzoate is sourced from PubChem (CID 18155855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).