3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone

C17H16O2S — CID 63708317

IUPAC3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)C1CCOc2ccccc21
InChIInChI=1S/C17H16O2S/c18-17(16-10-11-4-3-7-15(11)20-16)13-8-9-19-14-6-2-1-5-12(13)14/h1-2,5-6,10,13H,3-4,7-9H2
InChIKeyPTZCOHRDNVTFGS-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.99
Rot. Bonds2

About 3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone

3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (PubChem CID 63708317) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
PubChem CID63708317
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
SMILESO=C(c1cc2c(s1)CCC2)C1CCOc2ccccc21
InChIInChI=1S/C17H16O2S/c18-17(16-10-11-4-3-7-15(11)20-16)13-8-9-19-14-6-2-1-5-12(13)14/h1-2,5-6,10,13H,3-4,7-9H2
InChIKeyPTZCOHRDNVTFGS-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 34430971
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 61209134
3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
CID 65407582
1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709213
cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115811385
3,4-dihydro-2H-chromen-4-yl-(3-nitrophenyl)methanone
CID 63709388
3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110649686
cyclohexyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 114962155
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245498
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
3,4-dihydro-2H-chromen-4-yl-(2-methoxy-5-methylphenyl)methanone
CID 63709183

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (CID 63708317) is 3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone is O=C(c1cc2c(s1)CCC2)C1CCOc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The InChIKey is PTZCOHRDNVTFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2S/c18-17(16-10-11-4-3-7-15(11)20-16)13-8-9-19-14-6-2-1-5-12(13)14/h1-2,5-6,10,13H,3-4,7-9H2.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
3,4-dihydro-2H-chromen-4-yl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone has a molecular weight of 284.38 g/mol, XLogP of 3.99, 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(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone is sourced from PubChem (CID 63708317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).