2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol

C13H11BrO2S — CID 114714985

IUPAC2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccc(Br)s2)Oc2ccccc21
InChIInChI=1S/C13H11BrO2S/c14-13-6-5-12(17-13)11-7-9(15)8-3-1-2-4-10(8)16-11/h1-6,9,11,15H,7H2
InChIKeyAVAXBPWLPQAAQG-UHFFFAOYSA-N
MW311.20 g/mol
LogP4.07
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol

2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714985) has the molecular formula C13H11BrO2S and a molecular weight of 311.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714985
Molecular FormulaC13H11BrO2S
Molecular Weight311.20 g/mol
Exact Mass309.97
IUPAC Name2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccc(Br)s2)Oc2ccccc21
InChIInChI=1S/C13H11BrO2S/c14-13-6-5-12(17-13)11-7-9(15)8-3-1-2-4-10(8)16-11/h1-6,9,11,15H,7H2
InChIKeyAVAXBPWLPQAAQG-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol (CID 114714985) is 2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2ccc(Br)s2)Oc2ccccc21.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is AVAXBPWLPQAAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2S/c14-13-6-5-12(17-13)11-7-9(15)8-3-1-2-4-10(8)16-11/h1-6,9,11,15H,7H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol?
2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 311.20 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).