tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane

C31H36O5 — CID 156725378

IUPACtert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane
SMILESCC.Cc1cc(COc2ccccc2)cc2cc(COc3ccccc3CC(=O)OC(C)(C)C)oc12
InChIInChI=1S/C29H30O5.C2H6/c1-20-14-21(18-31-24-11-6-5-7-12-24)15-23-16-25(33-28(20)23)19-32-26-13-9-8-10-22(26)17-27(30)34-29(2,3)4;1-2/h5-16H,17-19H2,1-4H3;1-2H3
InChIKeyVBJJFIDIVBEDCJ-UHFFFAOYSA-N
MW488.62 g/mol
LogP7.81
Rot. Bonds8

About tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane

tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane (PubChem CID 156725378) has the molecular formula C31H36O5 and a molecular weight of 488.62 g/mol. Its IUPAC name is tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane.

Molecular Properties

Compound Nametert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane
PubChem CID156725378
Molecular FormulaC31H36O5
Molecular Weight488.62 g/mol
Exact Mass488.26
IUPAC Nametert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane
SMILESCC.Cc1cc(COc2ccccc2)cc2cc(COc3ccccc3CC(=O)OC(C)(C)C)oc12
InChIInChI=1S/C29H30O5.C2H6/c1-20-14-21(18-31-24-11-6-5-7-12-24)15-23-16-25(33-28(20)23)19-32-26-13-9-8-10-22(26)17-27(30)34-29(2,3)4;1-2/h5-16H,17-19H2,1-4H3;1-2H3
InChIKeyVBJJFIDIVBEDCJ-UHFFFAOYSA-N
XLogP7.81
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.62
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane with MolForge

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Related Compounds

ethane;methyl 7-methyl-2-[[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenoxy]methyl]-1-benzofuran-5-carboxylate
CID 156725444
tert-butyl 2-[2-[(3-bromo-5-methylphenyl)methoxy]phenyl]acetate
CID 121354476
ethyl 2-[2-[[7-iodo-2-(phenylmethoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139560775
ethyl 2-[2-[[7-methyl-2-[[(1-methylpyrazol-3-yl)amino]methyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 156569985
ethane;2-[2-[(7-prop-1-en-2-yl-2-propyl-1-benzofuran-5-yl)methoxy]phenyl]acetic acid
CID 153350570
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
tert-butyl 2-[2-[[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]phenyl]acetate
CID 145093485
tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate
CID 88715166
methyl 2-[2-[[2-(chloromethyl)-7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 153350951
ethyl 2-[2-[(7-bromo-2-chloro-1-benzofuran-5-yl)methoxy]phenyl]acetate
CID 139561061
ethyl 2-[2-[[7-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]methyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139576505
ethyl 2-[2-[[7-iodo-2-[[(5-methoxy-3-pyridinyl)amino]methyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139561063

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane?
The IUPAC name of tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane (CID 156725378) is tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane.
What is the SMILES notation for tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane?
The canonical SMILES for tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane is CC.Cc1cc(COc2ccccc2)cc2cc(COc3ccccc3CC(=O)OC(C)(C)C)oc12.
What is the InChIKey of tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane?
The InChIKey is VBJJFIDIVBEDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O5.C2H6/c1-20-14-21(18-31-24-11-6-5-7-12-24)15-23-16-25(33-28(20)23)19-32-26-13-9-8-10-22(26)17-27(30)34-29(2,3)4;1-2/h5-16H,17-19H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane?
tert-butyl 2-[2-[[7-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane has a molecular weight of 488.62 g/mol, XLogP of 7.81, 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-methyl-5-(phenoxymethyl)-1-benzofuran-2-yl]methoxy]phenyl]acetate;ethane is sourced from PubChem (CID 156725378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).