[8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol

C14H12BrFO2S — CID 139713454

IUPAC[8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol
SMILESOCC1CCc2cc(F)cc(-c3ccc(Br)s3)c2O1
InChIInChI=1S/C14H12BrFO2S/c15-13-4-3-12(19-13)11-6-9(16)5-8-1-2-10(7-17)18-14(8)11/h3-6,10,17H,1-2,7H2
InChIKeyQOQFGJQTAUOVJH-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.00
Rot. Bonds2

About [8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol

[8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol (PubChem CID 139713454) has the molecular formula C14H12BrFO2S and a molecular weight of 343.22 g/mol. Its IUPAC name is [8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol.

Molecular Properties

Compound Name[8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol
PubChem CID139713454
Molecular FormulaC14H12BrFO2S
Molecular Weight343.22 g/mol
Exact Mass341.97
IUPAC Name[8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol
SMILESOCC1CCc2cc(F)cc(-c3ccc(Br)s3)c2O1
InChIInChI=1S/C14H12BrFO2S/c15-13-4-3-12(19-13)11-6-9(16)5-8-1-2-10(7-17)18-14(8)11/h3-6,10,17H,1-2,7H2
InChIKeyQOQFGJQTAUOVJH-UHFFFAOYSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol?
The IUPAC name of [8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol (CID 139713454) is [8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol.
What is the SMILES notation for [8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol?
The canonical SMILES for [8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol is OCC1CCc2cc(F)cc(-c3ccc(Br)s3)c2O1.
What is the InChIKey of [8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol?
The InChIKey is QOQFGJQTAUOVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO2S/c15-13-4-3-12(19-13)11-6-9(16)5-8-1-2-10(7-17)18-14(8)11/h3-6,10,17H,1-2,7H2.
What are the key properties of [8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol?
[8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol has a molecular weight of 343.22 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(5-bromothiophen-2-yl)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol is sourced from PubChem (CID 139713454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).