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

C20H16Cl2O4 — CID 19630207

IUPAC[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C20H16Cl2O4/c1-13-5-7-14(8-6-13)24-12-19(23)25-11-15-9-10-18(26-15)16-3-2-4-17(21)20(16)22/h2-10H,11-12H2,1H3
InChIKeyDEMJLBYFIYFKRM-UHFFFAOYSA-N
MW391.25 g/mol
LogP5.68
Rot. Bonds6

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

[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate (PubChem CID 19630207) has the molecular formula C20H16Cl2O4 and a molecular weight of 391.25 g/mol. Its IUPAC name is [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Name[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate
PubChem CID19630207
Molecular FormulaC20H16Cl2O4
Molecular Weight391.25 g/mol
Exact Mass390.04
IUPAC Name[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1
InChIInChI=1S/C20H16Cl2O4/c1-13-5-7-14(8-6-13)24-12-19(23)25-11-15-9-10-18(26-15)16-3-2-4-17(21)20(16)22/h2-10H,11-12H2,1H3
InChIKeyDEMJLBYFIYFKRM-UHFFFAOYSA-N
XLogP5.68
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.25
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(2,4-dichlorophenoxy)acetate
CID 22781916
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 4-propan-2-yloxybenzoate
CID 19631409
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate
CID 19631643
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate
CID 23100763
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3-chloro-4-methoxybenzoate
CID 22775868
[5-(2-chloro-5-nitrophenyl)furan-2-yl]methyl 2-(2,4-dimethylphenoxy)acetate
CID 4670474
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
2-(4-tert-butylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 25251956
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 45037872
(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321197
[(E)-[amino-(2-chlorophenyl)methylidene]amino] 2-(4-methylphenoxy)acetate
CID 6243258
2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid
CID 82119349

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate?
The IUPAC name of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate (CID 19630207) is [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate.
What is the SMILES notation for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate?
The canonical SMILES for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate is Cc1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1.
What is the InChIKey of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate?
The InChIKey is DEMJLBYFIYFKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2O4/c1-13-5-7-14(8-6-13)24-12-19(23)25-11-15-9-10-18(26-15)16-3-2-4-17(21)20(16)22/h2-10H,11-12H2,1H3.
What are the key properties of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate?
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-(4-methylphenoxy)acetate has a molecular weight of 391.25 g/mol, XLogP of 5.68, 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-(4-methylphenoxy)acetate is sourced from PubChem (CID 19630207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).