(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate

C16H12Cl2O5 — CID 17391291

IUPAC(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate
SMILESCOC(=O)c1ccc(OC)cc1OC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2O5/c1-21-10-4-5-11(16(20)22-2)14(8-10)23-15(19)9-3-6-12(17)13(18)7-9/h3-8H,1-2H3
InChIKeyLYESRQUKLCDZFT-UHFFFAOYSA-N
MW355.17 g/mol
LogP4.01
Rot. Bonds4

About (5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate

(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate (PubChem CID 17391291) has the molecular formula C16H12Cl2O5 and a molecular weight of 355.17 g/mol. Its IUPAC name is (5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate.

Molecular Properties

Compound Name(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate
PubChem CID17391291
Molecular FormulaC16H12Cl2O5
Molecular Weight355.17 g/mol
Exact Mass354.01
IUPAC Name(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate
SMILESCOC(=O)c1ccc(OC)cc1OC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2O5/c1-21-10-4-5-11(16(20)22-2)14(8-10)23-15(19)9-3-6-12(17)13(18)7-9/h3-8H,1-2H3
InChIKeyLYESRQUKLCDZFT-UHFFFAOYSA-N
XLogP4.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 54.01
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

(5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate
CID 4795346
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
methyl 2-[(3,4-dichlorophenyl)methylsulfonyloxy]-4-methoxybenzoate
CID 56579059
(4-methoxyphenyl) 3-chloro-4-(4-methoxybenzoyl)oxybenzoate
CID 118425827
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7864763
[3-chloro-4-(4-methoxybenzoyl)oxyphenyl] 4-methoxybenzoate
CID 90331687
(2-chlorophenyl) 2,4-dimethoxybenzoate
CID 2366254
(2-acetyl-5-methoxyphenyl) 3,4-dimethoxybenzoate
CID 889085
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
(4-carbonochloridoylphenyl) 3,4-dichlorobenzoate
CID 91679824
methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
CID 78766506
methyl 4-benzoyloxy-3-chlorobenzoate
CID 47098649

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate?
The IUPAC name of (5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate (CID 17391291) is (5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate.
What is the SMILES notation for (5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate?
The canonical SMILES for (5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate is COC(=O)c1ccc(OC)cc1OC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate?
The InChIKey is LYESRQUKLCDZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O5/c1-21-10-4-5-11(16(20)22-2)14(8-10)23-15(19)9-3-6-12(17)13(18)7-9/h3-8H,1-2H3.
What are the key properties of (5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate?
(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate has a molecular weight of 355.17 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate is sourced from PubChem (CID 17391291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).