1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone

C17H18O2S — CID 65407954

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)C2CCOc3ccccc32)s1
InChIInChI=1S/C17H18O2S/c1-2-12-7-8-13(20-12)11-16(18)14-9-10-19-17-6-4-3-5-15(14)17/h3-8,14H,2,9-11H2,1H3
InChIKeyAMNSOHRNAMNQTB-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.99
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone

1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone (PubChem CID 65407954) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
PubChem CID65407954
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)C2CCOc3ccccc32)s1
InChIInChI=1S/C17H18O2S/c1-2-12-7-8-13(20-12)11-16(18)14-9-10-19-17-6-4-3-5-15(14)17/h3-8,14H,2,9-11H2,1H3
InChIKeyAMNSOHRNAMNQTB-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethylpentan-1-one
CID 65409112
1-(3,4-dihydro-2H-chromen-4-yl)-3-methylhexan-1-one
CID 65409121
2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408731
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-ethylthiophen-2-yl)ethanol
CID 104769223
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407389
3,4-dihydro-2H-chromen-4-yl-(5-ethylfuran-2-yl)methanone
CID 63710274
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408732
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone
CID 114967727
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone
CID 64982251

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone (CID 65407954) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(CC(=O)C2CCOc3ccccc32)s1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is AMNSOHRNAMNQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-2-12-7-8-13(20-12)11-16(18)14-9-10-19-17-6-4-3-5-15(14)17/h3-8,14H,2,9-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone?
1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 286.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 65407954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).