[2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C26H24O7S — CID 10299472

IUPAC[2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(O)c3)sc2c1
InChIInChI=1S/C26H24O7S/c1-29-16-7-8-17-22(13-16)34-26(14-6-9-19(30-2)18(27)10-14)23(17)24(28)15-11-20(31-3)25(33-5)21(12-15)32-4/h6-13,27H,1-5H3
InChIKeyGGRHSLQJYQUKGH-UHFFFAOYSA-N
MW480.54 g/mol
LogP5.55
Rot. Bonds8

About [2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10299472) has the molecular formula C26H24O7S and a molecular weight of 480.54 g/mol. Its IUPAC name is [2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10299472
Molecular FormulaC26H24O7S
Molecular Weight480.54 g/mol
Exact Mass480.12
IUPAC Name[2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(O)c3)sc2c1
InChIInChI=1S/C26H24O7S/c1-29-16-7-8-17-22(13-16)34-26(14-6-9-19(30-2)18(27)10-14)23(17)24(28)15-11-20(31-3)25(33-5)21(12-15)32-4/h6-13,27H,1-5H3
InChIKeyGGRHSLQJYQUKGH-UHFFFAOYSA-N
XLogP5.55
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.54
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 10299472) is [2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(O)c3)sc2c1.
What is the InChIKey of [2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is GGRHSLQJYQUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O7S/c1-29-16-7-8-17-22(13-16)34-26(14-6-9-19(30-2)18(27)10-14)23(17)24(28)15-11-20(31-3)25(33-5)21(12-15)32-4/h6-13,27H,1-5H3.
What are the key properties of [2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 480.54 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10299472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).