7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran

C32H27F3O3 — CID 162407097

IUPAC7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran
SMILESCOc1cc(COCc2ccc(C)cc2)cc2c(C(c3ccccc3)c3cccc(C(F)(F)F)c3)coc12
InChIInChI=1S/C32H27F3O3/c1-21-11-13-22(14-12-21)18-37-19-23-15-27-28(20-38-31(27)29(16-23)36-2)30(24-7-4-3-5-8-24)25-9-6-10-26(17-25)32(33,34)35/h3-17,20,30H,18-19H2,1-2H3
InChIKeyWZLWFQFTRFICGO-UHFFFAOYSA-N
MW516.56 g/mol
LogP8.67
Rot. Bonds8

About 7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran

7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran (PubChem CID 162407097) has the molecular formula C32H27F3O3 and a molecular weight of 516.56 g/mol. Its IUPAC name is 7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran.

Molecular Properties

Compound Name7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran
PubChem CID162407097
Molecular FormulaC32H27F3O3
Molecular Weight516.56 g/mol
Exact Mass516.19
IUPAC Name7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran
SMILESCOc1cc(COCc2ccc(C)cc2)cc2c(C(c3ccccc3)c3cccc(C(F)(F)F)c3)coc12
InChIInChI=1S/C32H27F3O3/c1-21-11-13-22(14-12-21)18-37-19-23-15-27-28(20-38-31(27)29(16-23)36-2)30(24-7-4-3-5-8-24)25-9-6-10-26(17-25)32(33,34)35/h3-17,20,30H,18-19H2,1-2H3
InChIKeyWZLWFQFTRFICGO-UHFFFAOYSA-N
XLogP8.67
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.56
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran with MolForge

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Related Compounds

karanjin [M+H]+
CID 11208566
Homoegonol
CID 176929
4,6-Dimethoxydibenzofuran
CID 458263
Neolignan 9-Nor-7,8-Dehydro-Isolicarin B
CID 11243755
Ocophyllals A
CID 44470605
Ocophyllals B
CID 44470606
2-methoxy-5-[(Z)-2-(7-methoxy-1-benzofuran-5-yl)ethenyl]phenol
CID 25131510
Sanaganone
CID 2802240
4-hydroxy-3-methoxyphenyl-7-methoxy3-methyl-5-(E)-propenylbenzofuran
CID 10314175
4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
CID 14352596
(2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(2R)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-one
CID 15605807
2-(3,4-Dimethoxyphenyl)-5-(3-methoxypropyl)benzofuran
CID 24764491

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
The IUPAC name of 7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran (CID 162407097) is 7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran.
What is the SMILES notation for 7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
The canonical SMILES for 7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran is COc1cc(COCc2ccc(C)cc2)cc2c(C(c3ccccc3)c3cccc(C(F)(F)F)c3)coc12.
What is the InChIKey of 7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
The InChIKey is WZLWFQFTRFICGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F3O3/c1-21-11-13-22(14-12-21)18-37-19-23-15-27-28(20-38-31(27)29(16-23)36-2)30(24-7-4-3-5-8-24)25-9-6-10-26(17-25)32(33,34)35/h3-17,20,30H,18-19H2,1-2H3.
What are the key properties of 7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran?
7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran has a molecular weight of 516.56 g/mol, XLogP of 8.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-[(4-methylphenyl)methoxymethyl]-3-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran is sourced from PubChem (CID 162407097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).