methyl 2,4-dichloro-3-(furan-2-yl)benzoate

C12H8Cl2O3 — CID 168526660

IUPACmethyl 2,4-dichloro-3-(furan-2-yl)benzoate
SMILESCOC(=O)c1ccc(Cl)c(-c2ccco2)c1Cl
InChIInChI=1S/C12H8Cl2O3/c1-16-12(15)7-4-5-8(13)10(11(7)14)9-3-2-6-17-9/h2-6H,1H3
InChIKeyIJCJVVYWJYYAEI-UHFFFAOYSA-N
MW271.10 g/mol
LogP4.04
Rot. Bonds2

About methyl 2,4-dichloro-3-(furan-2-yl)benzoate

methyl 2,4-dichloro-3-(furan-2-yl)benzoate (PubChem CID 168526660) has the molecular formula C12H8Cl2O3 and a molecular weight of 271.10 g/mol. Its IUPAC name is methyl 2,4-dichloro-3-(furan-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2,4-dichloro-3-(furan-2-yl)benzoate
PubChem CID168526660
Molecular FormulaC12H8Cl2O3
Molecular Weight271.10 g/mol
Exact Mass269.99
IUPAC Namemethyl 2,4-dichloro-3-(furan-2-yl)benzoate
SMILESCOC(=O)c1ccc(Cl)c(-c2ccco2)c1Cl
InChIInChI=1S/C12H8Cl2O3/c1-16-12(15)7-4-5-8(13)10(11(7)14)9-3-2-6-17-9/h2-6H,1H3
InChIKeyIJCJVVYWJYYAEI-UHFFFAOYSA-N
XLogP4.04
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
dimethyl 4-chloro-3-(furan-2-yl)-6-hydroxy-5-methylbenzene-1,2-dicarboxylate
CID 134839682
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate
CID 102416721
methyl 2,4-dichloro-3-(1,2,5-thiadiazol-3-yl)benzoate
CID 56993361
dimethyl 4-(furan-2-yl)-1,2-oxazole-3,5-dicarboxylate
CID 121005993
methyl 3-(bromomethyl)-2,4-dichlorobenzoate
CID 15477480
methyl 4-(furan-2-yl)-3,5-dinitrobenzoate
CID 168528509
methyl 4-chloro-5-(furan-2-yl)-2-methyl-1-propan-2-ylpyrrole-3-carboxylate
CID 91672482
methyl 2-(furan-2-yl)-4-hydroxy-5-iodobenzoate
CID 102014884

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dichloro-3-(furan-2-yl)benzoate?
The IUPAC name of methyl 2,4-dichloro-3-(furan-2-yl)benzoate (CID 168526660) is methyl 2,4-dichloro-3-(furan-2-yl)benzoate.
What is the SMILES notation for methyl 2,4-dichloro-3-(furan-2-yl)benzoate?
The canonical SMILES for methyl 2,4-dichloro-3-(furan-2-yl)benzoate is COC(=O)c1ccc(Cl)c(-c2ccco2)c1Cl.
What is the InChIKey of methyl 2,4-dichloro-3-(furan-2-yl)benzoate?
The InChIKey is IJCJVVYWJYYAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3/c1-16-12(15)7-4-5-8(13)10(11(7)14)9-3-2-6-17-9/h2-6H,1H3.
What are the key properties of methyl 2,4-dichloro-3-(furan-2-yl)benzoate?
methyl 2,4-dichloro-3-(furan-2-yl)benzoate has a molecular weight of 271.10 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dichloro-3-(furan-2-yl)benzoate is sourced from PubChem (CID 168526660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).