methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate

C20H24O4 — CID 20745785

IUPACmethyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)OC3(C)C)o1
InChIInChI=1S/C20H24O4/c1-12-9-15-16(20(4,5)24-19(15,2)3)11-13(12)10-14-7-8-17(23-14)18(21)22-6/h7-9,11H,10H2,1-6H3
InChIKeyYKDROEXOAFTTMJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.47
Rot. Bonds3

About methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate

methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate (PubChem CID 20745785) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate
PubChem CID20745785
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Namemethyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)OC3(C)C)o1
InChIInChI=1S/C20H24O4/c1-12-9-15-16(20(4,5)24-19(15,2)3)11-13(12)10-14-7-8-17(23-14)18(21)22-6/h7-9,11H,10H2,1-6H3
InChIKeyYKDROEXOAFTTMJ-UHFFFAOYSA-N
XLogP4.47
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate with MolForge

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Related Compounds

N-(2-chloro-4,6-dimethoxypyrimidin-5-yl)-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
CID 20745800
2-[[4,6-dimethoxy-5-[[5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carbonyl]amino]pyrimidin-2-yl]amino]ethyl-methyloxidanium
CID 142273880
N-(4,6-dimethoxy-2-phenoxypyrimidin-5-yl)-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
CID 10239668
N-[2-[(2-bromophenyl)methylamino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
CID 10153406
N-[4,6-dimethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
CID 10290110
[3-hydroxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]phenyl] 5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxylate
CID 21045565
N-[4,6-dimethoxy-2-(3-piperidin-1-ylpropylamino)pyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
CID 10289950
ethyl 2-[benzyl-[4,6-dimethoxy-5-[[5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carbonyl]amino]pyrimidin-2-yl]amino]acetate
CID 10218861
N-[2-[furan-2-ylmethyl(2-methylprop-2-enyl)amino]-4,6-dimethoxypyrimidin-5-yl]-5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxamide
CID 10153251
methyl 3-hydroperoxy-4,5-dimethoxy-2-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]benzoate
CID 21046556
N-(4,6-dimethoxypyrimidin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047840
methyl 4-cyano-3-[[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]thiophene-2-carboxylate
CID 21046564

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate (CID 20745785) is methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate is COC(=O)c1ccc(Cc2cc3c(cc2C)C(C)(C)OC3(C)C)o1.
What is the InChIKey of methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate?
The InChIKey is YKDROEXOAFTTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-12-9-15-16(20(4,5)24-19(15,2)3)11-13(12)10-14-7-8-17(23-14)18(21)22-6/h7-9,11H,10H2,1-6H3.
What are the key properties of methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate?
methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1,1,3,3,6-pentamethyl-2-benzofuran-5-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 20745785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).