3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone

C15H14O2S — CID 65407582

IUPAC3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2CCOc3ccccc32)cs1
InChIInChI=1S/C15H14O2S/c1-10-8-11(9-18-10)15(16)13-6-7-17-14-5-3-2-4-12(13)14/h2-5,8-9,13H,6-7H2,1H3
InChIKeyGTKBUFKJPRQEJF-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.81
Rot. Bonds2

About 3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone

3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone (PubChem CID 65407582) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
PubChem CID65407582
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)C2CCOc3ccccc32)cs1
InChIInChI=1S/C15H14O2S/c1-10-8-11(9-18-10)15(16)13-6-7-17-14-5-3-2-4-12(13)14/h2-5,8-9,13H,6-7H2,1H3
InChIKeyGTKBUFKJPRQEJF-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709213
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63708637
3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone
CID 63709183
3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 63708813
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
3,4-dihydro-2H-chromen-4-yl-(3-nitrophenyl)methanone
CID 63709388
3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 63708317
3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone
CID 63710274
3,4-dihydro-2H-chromen-4-yl-(5-iodo-2-methoxyphenyl)methanone
CID 63709913
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
3,4-dihydro-2H-chromen-4-yl-(1-propylpyrazol-4-yl)methanone
CID 65408926
3,4-dihydro-2H-chromen-4-yl-(2-methyloxolan-3-yl)methanone
CID 79759884

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone (CID 65407582) is 3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)C2CCOc3ccccc32)cs1.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone?
The InChIKey is GTKBUFKJPRQEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-10-8-11(9-18-10)15(16)13-6-7-17-14-5-3-2-4-12(13)14/h2-5,8-9,13H,6-7H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone?
3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone has a molecular weight of 258.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 65407582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).