methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate

C19H20O6 — CID 7705078

IUPACmethyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C19H20O6/c1-12(20)13-5-8-17(23-3)14(9-13)11-25-18-10-15(22-2)6-7-16(18)19(21)24-4/h5-10H,11H2,1-4H3
InChIKeyRKKYVQGGUYMKNB-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.27
Rot. Bonds7

About methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate

methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate (PubChem CID 7705078) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate
PubChem CID7705078
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Namemethyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C19H20O6/c1-12(20)13-5-8-17(23-3)14(9-13)11-25-18-10-15(22-2)6-7-16(18)19(21)24-4/h5-10H,11H2,1-4H3
InChIKeyRKKYVQGGUYMKNB-UHFFFAOYSA-N
XLogP3.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate
CID 16563809
(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
CID 7429918
methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate
CID 54212721
1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 43414176
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
CID 7919546
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
CID 26676915
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 16557440
(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678507
1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627244
1-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627011

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate (CID 7705078) is methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OCc1cc(C(C)=O)ccc1OC.
What is the InChIKey of methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate?
The InChIKey is RKKYVQGGUYMKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-12(20)13-5-8-17(23-3)14(9-13)11-25-18-10-15(22-2)6-7-16(18)19(21)24-4/h5-10H,11H2,1-4H3.
What are the key properties of methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate?
methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate has a molecular weight of 344.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate is sourced from PubChem (CID 7705078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).