methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate

C12H10O6 — CID 619530

IUPACmethyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)OC)o2)o1
InChIInChI=1S/C12H10O6/c1-15-11(13)9-5-3-7(17-9)8-4-6-10(18-8)12(14)16-2/h3-6H,1-2H3
InChIKeyJWIYSMDVJXYZFS-UHFFFAOYSA-N
MW250.21 g/mol
LogP2.11
Rot. Bonds3

About methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate

methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate (PubChem CID 619530) has the molecular formula C12H10O6 and a molecular weight of 250.21 g/mol. Its IUPAC name is methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate
PubChem CID619530
Molecular FormulaC12H10O6
Molecular Weight250.21 g/mol
Exact Mass250.05
IUPAC Namemethyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)OC)o2)o1
InChIInChI=1S/C12H10O6/c1-15-11(13)9-5-3-7(17-9)8-4-6-10(18-8)12(14)16-2/h3-6H,1-2H3
InChIKeyJWIYSMDVJXYZFS-UHFFFAOYSA-N
XLogP2.11
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Furfuryl octanoate
CID 61985
Octyl 2-furoate
CID 62901
5-Methyl-2-propionylfuran
CID 82757
2,5-Dimethyl furan-2,5-dicarboxylate
CID 303530
5-(Methoxymethyl)-2-furaldehyde
CID 74711
5-Acetoxymethyl-2-furaldehyde
CID 66349
1-(5-Ethylfuran-2-yl)ethan-1-one
CID 273065
Methyl 1-benzofuran-2-carboxylate
CID 291153
Heptanoic acid, 2-furanylmethyl ester
CID 557223
Furan-2,5-dicarboxylate
CID 20325160
5-Benzyl-furan-2-carboxylic acid methyl ester
CID 766979
Methyl 5-{[5-(methoxycarbonyl)furan-2-yl]methyl}furan-2-carboxylate
CID 372639

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate (CID 619530) is methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2ccc(C(=O)OC)o2)o1.
What is the InChIKey of methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate?
The InChIKey is JWIYSMDVJXYZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O6/c1-15-11(13)9-5-3-7(17-9)8-4-6-10(18-8)12(14)16-2/h3-6H,1-2H3.
What are the key properties of methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate?
methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate has a molecular weight of 250.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-methoxycarbonylfuran-2-yl)furan-2-carboxylate is sourced from PubChem (CID 619530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).