[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate

C19H12Cl4O4 — CID 22781916

IUPAC[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)OCc1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C19H12Cl4O4/c20-11-4-6-17(15(22)8-11)25-10-18(24)26-9-12-5-7-16(27-12)13-2-1-3-14(21)19(13)23/h1-8H,9-10H2
InChIKeyZVIQHJWCHYEWSA-UHFFFAOYSA-N
MW446.11 g/mol
LogP6.68
Rot. Bonds6

About [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate

[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 22781916) has the molecular formula C19H12Cl4O4 and a molecular weight of 446.11 g/mol. Its IUPAC name is [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate
PubChem CID22781916
Molecular FormulaC19H12Cl4O4
Molecular Weight446.11 g/mol
Exact Mass443.95
IUPAC Name[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)OCc1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C19H12Cl4O4/c20-11-4-6-17(15(22)8-11)25-10-18(24)26-9-12-5-7-16(27-12)13-2-1-3-14(21)19(13)23/h1-8H,9-10H2
InChIKeyZVIQHJWCHYEWSA-UHFFFAOYSA-N
XLogP6.68
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.11
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate
CID 19630207
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate
CID 22775868
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate
CID 23100763
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate
CID 19631643
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 1310079
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate
CID 19631409
but-3-enyl 2-(2,4-dichlorophenoxy)acetate
CID 57097632
[5-(2-chloro-5-nitrophenyl)furan-2-yl]methyl 2-(2,4-dimethylphenoxy)acetate
CID 4670474
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180867
2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5215575

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate (CID 22781916) is [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1Cl)OCc1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is ZVIQHJWCHYEWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl4O4/c20-11-4-6-17(15(22)8-11)25-10-18(24)26-9-12-5-7-16(27-12)13-2-1-3-14(21)19(13)23/h1-8H,9-10H2.
What are the key properties of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate?
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 446.11 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 22781916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).