[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate

C22H20O7 — CID 7893030

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3)o2)c(OC)c1
InChIInChI=1S/C22H20O7/c1-25-16-8-10-18(21(12-16)26-2)19(23)14-28-22(24)20-11-9-17(29-20)13-27-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3
InChIKeyATHNSQXAZGQLDV-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.92
Rot. Bonds9

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 7893030) has the molecular formula C22H20O7 and a molecular weight of 396.40 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID7893030
Molecular FormulaC22H20O7
Molecular Weight396.40 g/mol
Exact Mass396.12
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3)o2)c(OC)c1
InChIInChI=1S/C22H20O7/c1-25-16-8-10-18(21(12-16)26-2)19(23)14-28-22(24)20-11-9-17(29-20)13-27-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3
InChIKeyATHNSQXAZGQLDV-UHFFFAOYSA-N
XLogP3.92
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 22829690
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893069
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
CID 2520644
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 2604638
N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31836951
[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7892996
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 2663411
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953621
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 8511107
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468795

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate (CID 7893030) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate is COc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3)o2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is ATHNSQXAZGQLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O7/c1-25-16-8-10-18(21(12-16)26-2)19(23)14-28-22(24)20-11-9-17(29-20)13-27-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 396.40 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 7893030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).