1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol

C16H18O2S — CID 65410166

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)C1CCOc2ccccc21
InChIInChI=1S/C16H18O2S/c17-15(6-5-12-8-10-19-11-12)13-7-9-18-16-4-2-1-3-14(13)16/h1-4,8,10-11,13,15,17H,5-7,9H2
InChIKeyVALGMTHXOAAYCJ-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.61
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol

1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 65410166) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID65410166
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)C1CCOc2ccccc21
InChIInChI=1S/C16H18O2S/c17-15(6-5-12-8-10-19-11-12)13-7-9-18-16-4-2-1-3-14(13)16/h1-4,8,10-11,13,15,17H,5-7,9H2
InChIKeyVALGMTHXOAAYCJ-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
CID 65410168
1-(3,4-dihydro-2H-chromen-4-yl)but-3-yn-1-ol
CID 65411928
1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one
CID 105127699
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 107308166
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65411728
1-(5-methyloxolan-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 115798359
N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62091395
2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409973
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 79087408

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol (CID 65410166) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is VALGMTHXOAAYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c17-15(6-5-12-8-10-19-11-12)13-7-9-18-16-4-2-1-3-14(13)16/h1-4,8,10-11,13,15,17H,5-7,9H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol?
1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 274.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 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)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 65410166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).