2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone

C17H16O3S — CID 105097775

IUPAC2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CSc3ccccc32)c(OC)c1
InChIInChI=1S/C17H16O3S/c1-19-11-7-8-13(15(9-11)20-2)17(18)14-10-21-16-6-4-3-5-12(14)16/h3-9,14H,10H2,1-2H3
InChIKeyUUEDDXMASPSWKX-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.78
Rot. Bonds4

About 2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone

2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone (PubChem CID 105097775) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone
PubChem CID105097775
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CSc3ccccc32)c(OC)c1
InChIInChI=1S/C17H16O3S/c1-19-11-7-8-13(15(9-11)20-2)17(18)14-10-21-16-6-4-3-5-12(14)16/h3-9,14H,10H2,1-2H3
InChIKeyUUEDDXMASPSWKX-UHFFFAOYSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone
CID 105079897
2,3-dihydro-1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methanone
CID 105094308
N-(2-amino-5-methoxyphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212938
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
CID 65406839
(2,4-dimethoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 115385666
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105134314
2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone
CID 105079264
(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 114971202
(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
CID 65391983
[(3S,4R)-4-(2,4-dimethoxybenzoyl)oxythiolan-3-yl] 2,4-dimethoxybenzoate
CID 15869444
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone
CID 115783768

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone (CID 105097775) is 2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)C2CSc3ccccc32)c(OC)c1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone?
The InChIKey is UUEDDXMASPSWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3S/c1-19-11-7-8-13(15(9-11)20-2)17(18)14-10-21-16-6-4-3-5-12(14)16/h3-9,14H,10H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone?
2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone has a molecular weight of 300.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 105097775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).