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

C16H14OS — CID 105079264

IUPAC2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2CSc3ccccc32)c1
InChIInChI=1S/C16H14OS/c1-11-5-4-6-12(9-11)16(17)14-10-18-15-8-3-2-7-13(14)15/h2-9,14H,10H2,1H3
InChIKeyHROVHVIFDWELIF-UHFFFAOYSA-N
MW254.35 g/mol
LogP4.07
Rot. Bonds2

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

2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone (PubChem CID 105079264) has the molecular formula C16H14OS and a molecular weight of 254.35 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone
PubChem CID105079264
Molecular FormulaC16H14OS
Molecular Weight254.35 g/mol
Exact Mass254.08
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2CSc3ccccc32)c1
InChIInChI=1S/C16H14OS/c1-11-5-4-6-12(9-11)16(17)14-10-18-15-8-3-2-7-13(14)15/h2-9,14H,10H2,1H3
InChIKeyHROVHVIFDWELIF-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methanone
CID 105094308
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993497
2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone
CID 105080984
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105124411
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
(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-(2,4-dimethoxyphenyl)methanone
CID 105097775
1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one
CID 105086614
(2-methylcyclopropyl)-(3-methylphenyl)methanone
CID 65420816

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone (CID 105079264) is 2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone is Cc1cccc(C(=O)C2CSc3ccccc32)c1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone?
The InChIKey is HROVHVIFDWELIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS/c1-11-5-4-6-12(9-11)16(17)14-10-18-15-8-3-2-7-13(14)15/h2-9,14H,10H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone?
2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone has a molecular weight of 254.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone is sourced from PubChem (CID 105079264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).