2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone

C16H14O2S — CID 105079897

IUPAC2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1CSc2ccccc21
InChIInChI=1S/C16H14O2S/c1-18-14-8-4-2-7-12(14)16(17)13-10-19-15-9-5-3-6-11(13)15/h2-9,13H,10H2,1H3
InChIKeyPANLXFQACQFYOD-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.77
Rot. Bonds3

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

2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone (PubChem CID 105079897) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone
PubChem CID105079897
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1CSc2ccccc21
InChIInChI=1S/C16H14O2S/c1-18-14-8-4-2-7-12(14)16(17)13-10-19-15-9-5-3-6-11(13)15/h2-9,13H,10H2,1H3
InChIKeyPANLXFQACQFYOD-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone
CID 105097775
2,3-dihydro-1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methanone
CID 105094308
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone
CID 105079264
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
(2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105100893
6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
CID 114962813
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105134314
cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105107396
2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095519
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105124411

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone (CID 105079897) is 2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)C1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone?
The InChIKey is PANLXFQACQFYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-18-14-8-4-2-7-12(14)16(17)13-10-19-15-9-5-3-6-11(13)15/h2-9,13H,10H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone?
2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone has a molecular weight of 270.35 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl-(2-methoxyphenyl)methanone is sourced from PubChem (CID 105079897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).