methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate

C15H11Cl3O4 — CID 131879057

IUPACmethyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate
SMILESCOC(=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C15H11Cl3O4/c1-20-13-5-8(15(19)21-2)3-4-12(13)22-14-10(17)6-9(16)7-11(14)18/h3-7H,1-2H3
InChIKeySOZQAELRVBSQCO-UHFFFAOYSA-N
MW361.61 g/mol
LogP5.23
Rot. Bonds4

About methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate

methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate (PubChem CID 131879057) has the molecular formula C15H11Cl3O4 and a molecular weight of 361.61 g/mol. Its IUPAC name is methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate
PubChem CID131879057
Molecular FormulaC15H11Cl3O4
Molecular Weight361.61 g/mol
Exact Mass359.97
IUPAC Namemethyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate
SMILESCOC(=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C15H11Cl3O4/c1-20-13-5-8(15(19)21-2)3-4-12(13)22-14-10(17)6-9(16)7-11(14)18/h3-7H,1-2H3
InChIKeySOZQAELRVBSQCO-UHFFFAOYSA-N
XLogP5.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
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CID 167057664
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate
CID 154003587
5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid
CID 25133992
methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate
CID 8840295
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
[3,5-dichloro-4-(4-chloro-2-methoxyphenoxy)phenyl]boronic acid
CID 156686350
ethane;methyl 4-(1-hydroxypropan-2-yloxy)-3-methoxybenzoate
CID 145145919
methyl 4-amino-3-methoxybenzoate
CID 602411
2-methoxy-5-methoxycarbonylbenzenesulfinic acid
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methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate?
The IUPAC name of methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate (CID 131879057) is methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate.
What is the SMILES notation for methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate?
The canonical SMILES for methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate is COC(=O)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate?
The InChIKey is SOZQAELRVBSQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O4/c1-20-13-5-8(15(19)21-2)3-4-12(13)22-14-10(17)6-9(16)7-11(14)18/h3-7H,1-2H3.
What are the key properties of methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate?
methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate has a molecular weight of 361.61 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-(2,4,6-trichlorophenoxy)benzoate is sourced from PubChem (CID 131879057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).