methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate

C32H28O10 — CID 10175165

IUPACmethyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate
SMILESCOC(=O)c1cc(COc2cc3occc3c(OC)c2C(C)=O)ccc1COc1cc2occc2c(OC)c1C(C)=O
InChIInChI=1S/C32H28O10/c1-17(33)28-26(13-24-21(8-10-39-24)30(28)36-3)41-15-19-6-7-20(23(12-19)32(35)38-5)16-42-27-14-25-22(9-11-40-25)31(37-4)29(27)18(2)34/h6-14H,15-16H2,1-5H3
InChIKeyWHKIABIAHZRBNO-UHFFFAOYSA-N
MW572.57 g/mol
LogP6.55
Rot. Bonds11

About methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate

methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate (PubChem CID 10175165) has the molecular formula C32H28O10 and a molecular weight of 572.57 g/mol. Its IUPAC name is methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate
PubChem CID10175165
Molecular FormulaC32H28O10
Molecular Weight572.57 g/mol
Exact Mass572.17
IUPAC Namemethyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate
SMILESCOC(=O)c1cc(COc2cc3occc3c(OC)c2C(C)=O)ccc1COc1cc2occc2c(OC)c1C(C)=O
InChIInChI=1S/C32H28O10/c1-17(33)28-26(13-24-21(8-10-39-24)30(28)36-3)41-15-19-6-7-20(23(12-19)32(35)38-5)16-42-27-14-25-22(9-11-40-25)31(37-4)29(27)18(2)34/h6-14H,15-16H2,1-5H3
InChIKeyWHKIABIAHZRBNO-UHFFFAOYSA-N
XLogP6.55
TPSA123.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.57
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate
CID 10129573
1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-hydroxyphenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 10289942
2,5-bis[(5-acetyl-4,7-dimethoxycyclopenta[c]pyran-6-yl)oxymethyl]benzoic acid
CID 69058540
1-[6-[[4-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]phenyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 11226936
methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate
CID 142441350
1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone
CID 11618060
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 103749344
methyl 5-(aminooxymethyl)-2-methoxybenzoate
CID 59478628
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
1-[6-[[6-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)oxymethyl]-3-pyridinyl]methoxy]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 10175188
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate?
The IUPAC name of methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate (CID 10175165) is methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate.
What is the SMILES notation for methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate?
The canonical SMILES for methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate is COC(=O)c1cc(COc2cc3occc3c(OC)c2C(C)=O)ccc1COc1cc2occc2c(OC)c1C(C)=O.
What is the InChIKey of methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate?
The InChIKey is WHKIABIAHZRBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O10/c1-17(33)28-26(13-24-21(8-10-39-24)30(28)36-3)41-15-19-6-7-20(23(12-19)32(35)38-5)16-42-27-14-25-22(9-11-40-25)31(37-4)29(27)18(2)34/h6-14H,15-16H2,1-5H3.
What are the key properties of methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate?
methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate has a molecular weight of 572.57 g/mol, XLogP of 6.55, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-bis[(5-acetyl-4-methoxy-1-benzofuran-6-yl)oxymethyl]benzoate is sourced from PubChem (CID 10175165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).