5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran

C26H24O5 — CID 75464734

IUPAC5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
SMILESCOc1cc(-c2coc3ccc(OC/C=C/c4ccccc4)cc23)cc(OC)c1OC
InChIInChI=1S/C26H24O5/c1-27-24-14-19(15-25(28-2)26(24)29-3)22-17-31-23-12-11-20(16-21(22)23)30-13-7-10-18-8-5-4-6-9-18/h4-12,14-17H,13H2,1-3H3/b10-7+
InChIKeyQYGQSTQFOXUQCQ-JXMROGBWSA-N
MW416.47 g/mol
LogP6.22
Rot. Bonds8

About 5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran

5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran (PubChem CID 75464734) has the molecular formula C26H24O5 and a molecular weight of 416.47 g/mol. Its IUPAC name is 5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
PubChem CID75464734
Molecular FormulaC26H24O5
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
SMILESCOc1cc(-c2coc3ccc(OC/C=C/c4ccccc4)cc23)cc(OC)c1OC
InChIInChI=1S/C26H24O5/c1-27-24-14-19(15-25(28-2)26(24)29-3)22-17-31-23-12-11-20(16-21(22)23)30-13-7-10-18-8-5-4-6-9-18/h4-12,14-17H,13H2,1-3H3/b10-7+
InChIKeyQYGQSTQFOXUQCQ-JXMROGBWSA-N
XLogP6.22
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-(3-phenylprop-2-enoxy)-1-benzofuran
CID 163088099
1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-5-yl]oxy]ethanone
CID 71825599
1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 175119653
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
5-(3-phenylprop-2-enoxy)-1,3-benzodioxole
CID 54275545
2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
CID 102296681
5-methoxy-2-phenyl-3-[(E)-3-phenylprop-2-enyl]-1-benzofuran
CID 132574413
3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
CID 2062832
3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 2975320
16,17-dimethoxy-5-(3-phenylprop-2-enoxy)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14,16-nonaen-19-one
CID 71964009
2-[[3-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]acetamide
CID 91637457
2-bromo-7-[(E)-3-phenylprop-2-enoxy]naphthalene
CID 132821616

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran?
The IUPAC name of 5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran (CID 75464734) is 5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran.
What is the SMILES notation for 5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran?
The canonical SMILES for 5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran is COc1cc(-c2coc3ccc(OC/C=C/c4ccccc4)cc23)cc(OC)c1OC.
What is the InChIKey of 5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran?
The InChIKey is QYGQSTQFOXUQCQ-JXMROGBWSA-N. The full InChI is InChI=1S/C26H24O5/c1-27-24-14-19(15-25(28-2)26(24)29-3)22-17-31-23-12-11-20(16-21(22)23)30-13-7-10-18-8-5-4-6-9-18/h4-12,14-17H,13H2,1-3H3/b10-7+.
What are the key properties of 5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran?
5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran has a molecular weight of 416.47 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-phenylprop-2-enoxy]-3-(3,4,5-trimethoxyphenyl)-1-benzofuran is sourced from PubChem (CID 75464734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).