[3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate

C21H20O6 — CID 7891692

IUPAC[3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate
SMILESCc1cc(C)c(COC(=O)c2ccco2)c(C)c1COC(=O)c1ccco1
InChIInChI=1S/C21H20O6/c1-13-10-14(2)17(12-27-21(23)19-7-5-9-25-19)15(3)16(13)11-26-20(22)18-6-4-8-24-18/h4-10H,11-12H2,1-3H3
InChIKeyINHUAGRRRWXWEB-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.51
Rot. Bonds6

About [3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate

[3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate (PubChem CID 7891692) has the molecular formula C21H20O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is [3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate
PubChem CID7891692
Molecular FormulaC21H20O6
Molecular Weight368.39 g/mol
Exact Mass368.13
IUPAC Name[3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate
SMILESCc1cc(C)c(COC(=O)c2ccco2)c(C)c1COC(=O)c1ccco1
InChIInChI=1S/C21H20O6/c1-13-10-14(2)17(12-27-21(23)19-7-5-9-25-19)15(3)16(13)11-26-20(22)18-6-4-8-24-18/h4-10H,11-12H2,1-3H3
InChIKeyINHUAGRRRWXWEB-UHFFFAOYSA-N
XLogP4.51
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate
CID 4534837
bromomethyl furan-2-carboxylate
CID 54363056
[2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
CID 7866588
naphthalen-1-ylmethyl furan-2-carboxylate
CID 926070
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate
CID 25316797
(4-nitrophenyl)methyl furan-2-carboxylate
CID 930641
furan-2-carboxylic acid;methanamine
CID 82372767
3-trimethylstannylpropyl furan-2-carboxylate
CID 12901421
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
ethylsulfanylcarbonyloxymethyl furan-2-carboxylate
CID 14800947
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl furan-2-carboxylate
CID 18196862
[(1R,3R)-2,2-dichloro-3-(furan-2-carbonyloxymethyl)cyclopropyl]methyl furan-2-carboxylate
CID 1183207

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate?
The IUPAC name of [3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate (CID 7891692) is [3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate.
What is the SMILES notation for [3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate?
The canonical SMILES for [3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate is Cc1cc(C)c(COC(=O)c2ccco2)c(C)c1COC(=O)c1ccco1.
What is the InChIKey of [3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate?
The InChIKey is INHUAGRRRWXWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O6/c1-13-10-14(2)17(12-27-21(23)19-7-5-9-25-19)15(3)16(13)11-26-20(22)18-6-4-8-24-18/h4-10H,11-12H2,1-3H3.
What are the key properties of [3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate?
[3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate is sourced from PubChem (CID 7891692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).