methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate

C17H14Cl2O5 — CID 8840295

IUPACmethyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)Cc2c(Cl)cccc2Cl)c(OC)c1
InChIInChI=1S/C17H14Cl2O5/c1-22-15-8-10(17(21)23-2)6-7-14(15)24-16(20)9-11-12(18)4-3-5-13(11)19/h3-8H,9H2,1-2H3
InChIKeyLJXMYAZUCUPBOH-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.94
Rot. Bonds5

About methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate

methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate (PubChem CID 8840295) has the molecular formula C17H14Cl2O5 and a molecular weight of 369.20 g/mol. Its IUPAC name is methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate
PubChem CID8840295
Molecular FormulaC17H14Cl2O5
Molecular Weight369.20 g/mol
Exact Mass368.02
IUPAC Namemethyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)Cc2c(Cl)cccc2Cl)c(OC)c1
InChIInChI=1S/C17H14Cl2O5/c1-22-15-8-10(17(21)23-2)6-7-14(15)24-16(20)9-11-12(18)4-3-5-13(11)19/h3-8H,9H2,1-2H3
InChIKeyLJXMYAZUCUPBOH-UHFFFAOYSA-N
XLogP3.94
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934045
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520
2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 43160866
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 3-[(2-chloro-6-methoxyphenyl)methylamino]benzoate
CID 115884786
(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 8933305
methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate
CID 131879057
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate
CID 100633924
methanamine;methyl 3-chloro-4-ethoxybenzoate
CID 23512246
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate?
The IUPAC name of methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate (CID 8840295) is methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate?
The canonical SMILES for methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate is COC(=O)c1ccc(OC(=O)Cc2c(Cl)cccc2Cl)c(OC)c1.
What is the InChIKey of methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate?
The InChIKey is LJXMYAZUCUPBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O5/c1-22-15-8-10(17(21)23-2)6-7-14(15)24-16(20)9-11-12(18)4-3-5-13(11)19/h3-8H,9H2,1-2H3.
What are the key properties of methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate?
methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate has a molecular weight of 369.20 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate is sourced from PubChem (CID 8840295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).