(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate

C16H14Cl2O4 — CID 23012898

IUPAC(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate
SMILESCOCCOc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2O4/c1-20-8-9-21-13-5-2-11(3-6-13)16(19)22-15-7-4-12(17)10-14(15)18/h2-7,10H,8-9H2,1H3
InChIKeyDKRLSHLQNKGHEW-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.24
Rot. Bonds6

About (2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate

(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate (PubChem CID 23012898) has the molecular formula C16H14Cl2O4 and a molecular weight of 341.19 g/mol. Its IUPAC name is (2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate
PubChem CID23012898
Molecular FormulaC16H14Cl2O4
Molecular Weight341.19 g/mol
Exact Mass340.03
IUPAC Name(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate
SMILESCOCCOc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2O4/c1-20-8-9-21-13-5-2-11(3-6-13)16(19)22-15-7-4-12(17)10-14(15)18/h2-7,10H,8-9H2,1H3
InChIKeyDKRLSHLQNKGHEW-UHFFFAOYSA-N
XLogP4.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
CID 28588080
[3-chloro-4-(4-methoxybenzoyl)oxyphenyl] 4-methoxybenzoate
CID 90331687
(4-aminophenyl) 4-[4-(2,4-dichlorophenoxy)carbonylphenyl]benzoate
CID 68526564
(4-methoxyphenyl) 3-chloro-4-(4-methoxybenzoyl)oxybenzoate
CID 118425827
(3,5-dimethylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012902
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
(2,4,5-trichlorophenyl) 4-(4-butoxyphenoxy)benzoate
CID 10389783
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
methyl 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzoate
CID 112772161
(2,3-dimethylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012904
(2-acetylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012920
2-(2,4-dichlorophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662831

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate?
The IUPAC name of (2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate (CID 23012898) is (2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate.
What is the SMILES notation for (2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate?
The canonical SMILES for (2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate is COCCOc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate?
The InChIKey is DKRLSHLQNKGHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O4/c1-20-8-9-21-13-5-2-11(3-6-13)16(19)22-15-7-4-12(17)10-14(15)18/h2-7,10H,8-9H2,1H3.
What are the key properties of (2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate?
(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate has a molecular weight of 341.19 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate is sourced from PubChem (CID 23012898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).