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

C15H14O6 — CID 2110550

IUPACmethyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cccc(OC)c2)o1
InChIInChI=1S/C15H14O6/c1-18-11-5-3-4-10(8-11)14(16)20-9-12-6-7-13(21-12)15(17)19-2/h3-8H,9H2,1-2H3
InChIKeyBIZFLIUWMUIQLX-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.43
Rot. Bonds5

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

methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate (PubChem CID 2110550) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
PubChem CID2110550
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Namemethyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cccc(OC)c2)o1
InChIInChI=1S/C15H14O6/c1-18-11-5-3-4-10(8-11)14(16)20-9-12-6-7-13(21-12)15(17)19-2/h3-8H,9H2,1-2H3
InChIKeyBIZFLIUWMUIQLX-UHFFFAOYSA-N
XLogP2.43
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.43
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-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 9125878
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
[5-(chloromethyl)furan-2-yl]-(3-methoxyphenyl)methanone
CID 82087506
[5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone
CID 82082014
methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate
CID 2606973
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81354745
methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 8665205
methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate
CID 12756460
methyl 5-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]furan-2-carboxylate
CID 51103380
methyl 5-[[2-(2-cyanophenyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 8702041

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate (CID 2110550) is methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)c2cccc(OC)c2)o1.
What is the InChIKey of methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate?
The InChIKey is BIZFLIUWMUIQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6/c1-18-11-5-3-4-10(8-11)14(16)20-9-12-6-7-13(21-12)15(17)19-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate?
methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate has a molecular weight of 290.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2110550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).