[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate

C17H12Cl2O5 — CID 23760901

IUPAC[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate
SMILESO=Cc1ccccc1OCC(=O)OCC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H12Cl2O5/c18-12-5-6-14(19)13(7-12)15(21)9-24-17(22)10-23-16-4-2-1-3-11(16)8-20/h1-8H,9-10H2
InChIKeyUZZNGSAYTYWZCV-UHFFFAOYSA-N
MW367.18 g/mol
LogP3.61
Rot. Bonds7

About [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate

[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate (PubChem CID 23760901) has the molecular formula C17H12Cl2O5 and a molecular weight of 367.18 g/mol. Its IUPAC name is [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate
PubChem CID23760901
Molecular FormulaC17H12Cl2O5
Molecular Weight367.18 g/mol
Exact Mass366.01
IUPAC Name[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate
SMILESO=Cc1ccccc1OCC(=O)OCC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H12Cl2O5/c18-12-5-6-14(19)13(7-12)15(21)9-24-17(22)10-23-16-4-2-1-3-11(16)8-20/h1-8H,9-10H2
InChIKeyUZZNGSAYTYWZCV-UHFFFAOYSA-N
XLogP3.61
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.18
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8608301
1-(2,5-dichlorophenyl)-2-(2-fluorophenoxy)ethanone
CID 43412967
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609856
methyl 2-(2-formylphenoxy)acetate
CID 5151625
2,2,2-trifluoroethyl 2-(2-formylphenoxy)acetate
CID 87891614
1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one
CID 131632720
(2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate
CID 23010873
5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde
CID 22684407
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
tert-butyl 2-(4-chloro-2-formylphenoxy)acetate
CID 51357407
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3496931
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609611

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The IUPAC name of [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate (CID 23760901) is [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate.
What is the SMILES notation for [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The canonical SMILES for [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate is O=Cc1ccccc1OCC(=O)OCC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The InChIKey is UZZNGSAYTYWZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O5/c18-12-5-6-14(19)13(7-12)15(21)9-24-17(22)10-23-16-4-2-1-3-11(16)8-20/h1-8H,9-10H2.
What are the key properties of [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate?
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate has a molecular weight of 367.18 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate is sourced from PubChem (CID 23760901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).