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

C16H16O7 — CID 2516450

IUPACmethyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(OC)cc(OC)c2)o1
InChIInChI=1S/C16H16O7/c1-19-12-6-10(7-13(8-12)20-2)15(17)22-9-11-4-5-14(23-11)16(18)21-3/h4-8H,9H2,1-3H3
InChIKeyDRQFYXCQUQPEIH-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.44
Rot. Bonds6

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

methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate (PubChem CID 2516450) has the molecular formula C16H16O7 and a molecular weight of 320.30 g/mol. Its IUPAC name is methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
PubChem CID2516450
Molecular FormulaC16H16O7
Molecular Weight320.30 g/mol
Exact Mass320.09
IUPAC Namemethyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(OC)cc(OC)c2)o1
InChIInChI=1S/C16H16O7/c1-19-12-6-10(7-13(8-12)20-2)15(17)22-9-11-4-5-14(23-11)16(18)21-3/h4-8H,9H2,1-3H3
InChIKeyDRQFYXCQUQPEIH-UHFFFAOYSA-N
XLogP2.44
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2110550
methyl 5-[(3,5-dichloro-4-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 9125878
methyl 5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 8665205
methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate
CID 2606973
5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63570670
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
(5-methoxycarbonylfuran-2-yl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385786
methyl 5-[(2,3,4-trimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2522067
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 3,5-dimethoxybenzoate
CID 19631643
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-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2602831

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate (CID 2516450) is methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)c2cc(OC)cc(OC)c2)o1.
What is the InChIKey of methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate?
The InChIKey is DRQFYXCQUQPEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O7/c1-19-12-6-10(7-13(8-12)20-2)15(17)22-9-11-4-5-14(23-11)16(18)21-3/h4-8H,9H2,1-3H3.
What are the key properties of methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate?
methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate has a molecular weight of 320.30 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2516450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).