(5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

C23H18O7 — CID 7903992

IUPAC(5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2oc3ccccc3c2COc2ccccc2)o1
InChIInChI=1S/C23H18O7/c1-26-22(24)20-12-11-16(29-20)13-28-23(25)21-18(14-27-15-7-3-2-4-8-15)17-9-5-6-10-19(17)30-21/h2-12H,13-14H2,1H3
InChIKeyHZKCGZAWRLXSHH-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.75
Rot. Bonds7

About (5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 7903992) has the molecular formula C23H18O7 and a molecular weight of 406.39 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID7903992
Molecular FormulaC23H18O7
Molecular Weight406.39 g/mol
Exact Mass406.11
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2oc3ccccc3c2COc2ccccc2)o1
InChIInChI=1S/C23H18O7/c1-26-22(24)20-12-11-16(29-20)13-28-23(25)21-18(14-27-15-7-3-2-4-8-15)17-9-5-6-10-19(17)30-21/h2-12H,13-14H2,1H3
InChIKeyHZKCGZAWRLXSHH-UHFFFAOYSA-N
XLogP4.75
TPSA88.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-nitrophenyl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 3908224
[2-(3-methoxypropylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 8526816
cyanomethyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 2644868
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 2648017
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 2647260
(4-methoxycarbonylphenyl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660302
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 2478782
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 4783374
ethyl 3-[(5-methylfuran-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 8531697
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
(3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18098570

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate (CID 7903992) is (5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate is COC(=O)c1ccc(COC(=O)c2oc3ccccc3c2COc2ccccc2)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is HZKCGZAWRLXSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O7/c1-26-22(24)20-12-11-16(29-20)13-28-23(25)21-18(14-27-15-7-3-2-4-8-15)17-9-5-6-10-19(17)30-21/h2-12H,13-14H2,1H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 406.39 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7903992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).