methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate

C15H12Cl2O6 — CID 9125878

IUPACmethyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(Cl)c(OC)c(Cl)c2)o1
InChIInChI=1S/C15H12Cl2O6/c1-20-13-10(16)5-8(6-11(13)17)14(18)22-7-9-3-4-12(23-9)15(19)21-2/h3-6H,7H2,1-2H3
InChIKeyYINJCPASGISLJW-UHFFFAOYSA-N
MW359.16 g/mol
LogP3.74
Rot. Bonds5

About methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate

methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate (PubChem CID 9125878) has the molecular formula C15H12Cl2O6 and a molecular weight of 359.16 g/mol. Its IUPAC name is methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
PubChem CID9125878
Molecular FormulaC15H12Cl2O6
Molecular Weight359.16 g/mol
Exact Mass358.00
IUPAC Namemethyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(Cl)c(OC)c(Cl)c2)o1
InChIInChI=1S/C15H12Cl2O6/c1-20-13-10(16)5-8(6-11(13)17)14(18)22-7-9-3-4-12(23-9)15(19)21-2/h3-6H,7H2,1-2H3
InChIKeyYINJCPASGISLJW-UHFFFAOYSA-N
XLogP3.74
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2110550
methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2522067
methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2602831
methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate
CID 2606973
methyl 5-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]oxymethyl]furan-2-carboxylate
CID 8732589
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
(5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385786
methyl 5-[[4-(1,3-dithiolan-2-yl)benzoyl]oxymethyl]furan-2-carboxylate
CID 7744319
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
methyl 5-[(2,6-dimethoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 7695683

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate (CID 9125878) is methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)c2cc(Cl)c(OC)c(Cl)c2)o1.
What is the InChIKey of methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate?
The InChIKey is YINJCPASGISLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O6/c1-20-13-10(16)5-8(6-11(13)17)14(18)22-7-9-3-4-12(23-9)15(19)21-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate?
methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate has a molecular weight of 359.16 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 9125878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).