methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate

C19H19ClO6 — CID 28588080

IUPACmethyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
SMILESCCOCCOc1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)OC)cc1
InChIInChI=1S/C19H19ClO6/c1-3-24-10-11-25-15-7-4-13(5-8-15)18(21)26-17-9-6-14(20)12-16(17)19(22)23-2/h4-9,12H,3,10-11H2,1-2H3
InChIKeyVGWCKKHOCNOXSC-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.76
Rot. Bonds8

About methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate

methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate (PubChem CID 28588080) has the molecular formula C19H19ClO6 and a molecular weight of 378.81 g/mol. Its IUPAC name is methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
PubChem CID28588080
Molecular FormulaC19H19ClO6
Molecular Weight378.81 g/mol
Exact Mass378.09
IUPAC Namemethyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
SMILESCCOCCOc1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)OC)cc1
InChIInChI=1S/C19H19ClO6/c1-3-24-10-11-25-15-7-4-13(5-8-15)18(21)26-17-9-6-14(20)12-16(17)19(22)23-2/h4-9,12H,3,10-11H2,1-2H3
InChIKeyVGWCKKHOCNOXSC-UHFFFAOYSA-N
XLogP3.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate
CID 23012898
methyl 5-chloro-2-[2-(4-ethylphenoxy)acetyl]oxybenzoate
CID 28588013
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112743
methyl 5-[4-[4-(4-butoxyphenyl)benzoyl]oxybenzoyl]oxy-2-ethoxybenzoate
CID 89354017
N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17112665
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
methyl 5-chloro-2-(2-chloroethoxy)benzoate
CID 66846837
2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
CID 17200308
methyl 5-chloro-2-(3,5-dinitrobenzoyl)oxybenzoate
CID 28587997
methyl 5-(4-ethylbenzoyl)oxy-2-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoate
CID 154605424
methyl 5-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoate
CID 21353450
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
CID 3735265

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate?
The IUPAC name of methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate (CID 28588080) is methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate.
What is the SMILES notation for methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate?
The canonical SMILES for methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate is CCOCCOc1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)OC)cc1.
What is the InChIKey of methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate?
The InChIKey is VGWCKKHOCNOXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO6/c1-3-24-10-11-25-15-7-4-13(5-8-15)18(21)26-17-9-6-14(20)12-16(17)19(22)23-2/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate?
methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate has a molecular weight of 378.81 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate is sourced from PubChem (CID 28588080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).