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LY88074 Trimethyl ether

HCID 9953060
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(=O)c2c(-c3ccc(OC)cc3)sc3cc(OC)ccc23)cc1
InChIKey
RFSCQXPHEFFAAZ-UHFFFAOYSA-N
Molecular formula
C24H20O4S
Average molar mass
404.5 g/mol
Monoisotopic mass
404.10823029

Names & identifiers

Preferred name
LY88074 Trimethyl ether
IUPAC
[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone

Names & synonyms

LY88074 Trimethyl ether63675-87-6[6-Methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-methoxyphenyl]methanone[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanoneMETHANONE,[6-METHOXY-2-(4-METHOXYPHENYL)BENZO[B]THIEN-3-YL](4-METHOXYPHENYL)-RFSCQXPHEFFAAZ-UHFFFAOYSA-N3-(4-Methoxybenzoyl)-2-(4-methoxyphenyl)-6-methoxybenzo[b]thiophene; [6-Methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl](4-methoxyphenyl)methanone;orb1709217SCHEMBL5026252AKOS040733646DA-75209HY-135583
Show more names
CS-0113550T119142-(4-Methoxyphenyl)-3-(4-methoxybenzoyl)-6-methoxybenzothiophene2-(4-Methoxyphenyl)-3-(4-Methoxybenzoyl)-6-Methoxybenzo[b]thiophene3-(4'-methoxybenzoyl)-2-(4'-methoxyphenyl)-6-methoxybenzo[b]-thiophene3-(4'-methoxybenzoyl)-2-(4'-methoxyphenyl)-6-methoxybenzo[b]thiophene6-methoxy-2-(p-methoxyphenyl)benzo[b]thien-3-yl p-methoxyphenyl ketone[6-Methoxy-2-(4-methoxy-phenyl)-benzo[b]thiophen-3-yl]-(4-methoxy -phenyl)-methanone

Database identifiers

PubChem CID
9953060

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
73 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Formal charge
0
Complexity
539

Related reactions

28 records
New reaction record
HRID 120550 reaction equation
HRID 120550As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 234790 reaction equation
HRID 234790As reactantuspto-grants-1997_01
HRID 305972 reaction equation
HRID 305972As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 354084 reaction equation
HRID 354084As productuspto-grants-2004_06
HRID 354085 reaction equation
HRID 354085As reactantuspto-grants-2004_06
HRID 377419 reaction equation
HRID 377419As productuspto-grants-2000_02
HRID 377420 reaction equation
HRID 377420As reactantuspto-grants-2000_02
HRID 460453 reaction equation
HRID 460453As productuspto-grants-2007_03
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Compound notes

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