tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate

C30H32O5 — CID 167622936

IUPACtert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate
SMILESCCc1cccc(-c2cc(COc3ccc(OC)cc3CC(=O)OC(C)(C)C)cc3ccoc23)c1
InChIInChI=1S/C30H32O5/c1-6-20-8-7-9-22(14-20)26-16-21(15-23-12-13-33-29(23)26)19-34-27-11-10-25(32-5)17-24(27)18-28(31)35-30(2,3)4/h7-17H,6,18-19H2,1-5H3
InChIKeyXEVWJMSEABQSTL-UHFFFAOYSA-N
MW472.58 g/mol
LogP7.13
Rot. Bonds8

About tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate

tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate (PubChem CID 167622936) has the molecular formula C30H32O5 and a molecular weight of 472.58 g/mol. Its IUPAC name is tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate
PubChem CID167622936
Molecular FormulaC30H32O5
Molecular Weight472.58 g/mol
Exact Mass472.22
IUPAC Nametert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate
SMILESCCc1cccc(-c2cc(COc3ccc(OC)cc3CC(=O)OC(C)(C)C)cc3ccoc23)c1
InChIInChI=1S/C30H32O5/c1-6-20-8-7-9-22(14-20)26-16-21(15-23-12-13-33-29(23)26)19-34-27-11-10-25(32-5)17-24(27)18-28(31)35-30(2,3)4/h7-17H,6,18-19H2,1-5H3
InChIKeyXEVWJMSEABQSTL-UHFFFAOYSA-N
XLogP7.13
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.58
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate with MolForge

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Related Compounds

methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 151081349
methyl 2-[5-(1-ethoxyethenyl)-2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 146236985
ethyl 2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate
CID 139560842
ethyl 2-[4-acetyl-2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139560365
ethyl 2-[2-[[7-[3-[1-(tert-butylsulfanylamino)-2-fluoroethyl]phenyl]-1-benzofuran-5-yl]methoxy]-4-methoxyphenyl]acetate
CID 156724650
ethyl 2-acetamido-2-[2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139561970
2-[2-[[7-[3-[(1S)-1-amino-2-fluoroethyl]phenyl]-1-benzofuran-5-yl]methoxy]-4-methoxyphenyl]acetic acid
CID 176877310
2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-4,5-dimethylphenyl]acetic acid
CID 139560861
methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate
CID 139560996
2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-5-cyclopropylphenyl]acetic acid
CID 139560613
2-[6-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-1-benzofuran-5-yl]acetic acid;ethane
CID 153350494
ethyl 2-[2-[[7-(2-ethylphenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 157458873

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate?
The IUPAC name of tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate (CID 167622936) is tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate.
What is the SMILES notation for tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate?
The canonical SMILES for tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate is CCc1cccc(-c2cc(COc3ccc(OC)cc3CC(=O)OC(C)(C)C)cc3ccoc23)c1.
What is the InChIKey of tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate?
The InChIKey is XEVWJMSEABQSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O5/c1-6-20-8-7-9-22(14-20)26-16-21(15-23-12-13-33-29(23)26)19-34-27-11-10-25(32-5)17-24(27)18-28(31)35-30(2,3)4/h7-17H,6,18-19H2,1-5H3.
What are the key properties of tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate?
tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate has a molecular weight of 472.58 g/mol, XLogP of 7.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[[7-(3-ethylphenyl)-1-benzofuran-5-yl]methoxy]-5-methoxyphenyl]acetate is sourced from PubChem (CID 167622936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).