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

C15H14O6 — CID 2456748

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2ccco2)c1
InChIInChI=1S/C15H14O6/c1-18-10-5-6-13(19-2)11(8-10)12(16)9-21-15(17)14-4-3-7-20-14/h3-8H,9H2,1-2H3
InChIKeyRNCOMHJFSDVBFT-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.34
Rot. Bonds6

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

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate (PubChem CID 2456748) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
PubChem CID2456748
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2ccco2)c1
InChIInChI=1S/C15H14O6/c1-18-10-5-6-13(19-2)11(8-10)12(16)9-21-15(17)14-4-3-7-20-14/h3-8H,9H2,1-2H3
InChIKeyRNCOMHJFSDVBFT-UHFFFAOYSA-N
XLogP2.34
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 30758901
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9065160
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
[4-[2-(3-methoxybenzoyl)oxyacetyl]phenyl] furan-2-carboxylate
CID 1218467
1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
CID 105098345
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8730398
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879930
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 3877621

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate (CID 2456748) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate is COc1ccc(OC)c(C(=O)COC(=O)c2ccco2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is RNCOMHJFSDVBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6/c1-18-10-5-6-13(19-2)11(8-10)12(16)9-21-15(17)14-4-3-7-20-14/h3-8H,9H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 290.27 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 2456748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).