3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran

C26H20O3S — CID 24747884

IUPAC3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
SMILESCOc1ccc(-c2ccc3oc(-c4ccsc4)c(-c4ccc(OC)cc4)c3c2)cc1
InChIInChI=1S/C26H20O3S/c1-27-21-8-3-17(4-9-21)19-7-12-24-23(15-19)25(18-5-10-22(28-2)11-6-18)26(29-24)20-13-14-30-16-20/h3-16H,1-2H3
InChIKeyHYXXTWHXXJLILE-UHFFFAOYSA-N
MW412.51 g/mol
LogP7.51
Rot. Bonds5

About 3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran

3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran (PubChem CID 24747884) has the molecular formula C26H20O3S and a molecular weight of 412.51 g/mol. Its IUPAC name is 3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran.

Molecular Properties

Compound Name3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
PubChem CID24747884
Molecular FormulaC26H20O3S
Molecular Weight412.51 g/mol
Exact Mass412.11
IUPAC Name3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
SMILESCOc1ccc(-c2ccc3oc(-c4ccsc4)c(-c4ccc(OC)cc4)c3c2)cc1
InChIInChI=1S/C26H20O3S/c1-27-21-8-3-17(4-9-21)19-7-12-24-23(15-19)25(18-5-10-22(28-2)11-6-18)26(29-24)20-13-14-30-16-20/h3-16H,1-2H3
InChIKeyHYXXTWHXXJLILE-UHFFFAOYSA-N
XLogP7.51
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(1-benzothiophen-5-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one
CID 118732204
(E)-3-(1-benzothiophen-3-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one
CID 118732205
2-(4-Methoxyphenyl)-3-(4-methoxybenzoyl)benzothiophene
CID 10667130
(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-thiophen-2-yl-methanone
CID 10757665
2-{3-[4-(Ethylsulfonyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole
CID 45482766
2-Methyl-5-{3-[3-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole
CID 45482777
2-Ethyl-3-(4-methoxybenzoyl)benzo[b]-thiophene
CID 129781980
Ethyl 3-methyl-6-phenoxy-1-benzothiophene-2-carboxylate
CID 132022548
1-Benzofuran-2-yl(2-thienyl)methanone
CID 684173
(E)-3-(1-benzothiophen-3-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one
CID 118732208
(E)-3-(1-benzothiophen-3-yl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 118732209
(E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 5737875

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran?
The IUPAC name of 3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran (CID 24747884) is 3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran.
What is the SMILES notation for 3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran?
The canonical SMILES for 3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran is COc1ccc(-c2ccc3oc(-c4ccsc4)c(-c4ccc(OC)cc4)c3c2)cc1.
What is the InChIKey of 3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran?
The InChIKey is HYXXTWHXXJLILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O3S/c1-27-21-8-3-17(4-9-21)19-7-12-24-23(15-19)25(18-5-10-22(28-2)11-6-18)26(29-24)20-13-14-30-16-20/h3-16H,1-2H3.
What are the key properties of 3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran?
3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran has a molecular weight of 412.51 g/mol, XLogP of 7.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran is sourced from PubChem (CID 24747884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).