(4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol

C9H9BrO2 — CID 15420540

IUPAC(4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CCOc2ccc(Br)cc21
InChIInChI=1S/C9H9BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2/t8-/m0/s1
InChIKeyAUBCSGZQJXSWGV-QMMMGPOBSA-N
MW229.07 g/mol
LogP2.27
Rot. Bonds

About (4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol

(4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol (PubChem CID 15420540) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is (4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol
PubChem CID15420540
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name(4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CCOc2ccc(Br)cc21
InChIInChI=1S/C9H9BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2/t8-/m0/s1
InChIKeyAUBCSGZQJXSWGV-QMMMGPOBSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol (CID 15420540) is (4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CCOc2ccc(Br)cc21.
What is the InChIKey of (4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is AUBCSGZQJXSWGV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,11H,3-4H2/t8-/m0/s1.
What are the key properties of (4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol?
(4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 229.07 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-bromo-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 15420540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).