(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one

C15H11BrO2 — CID 71059551

IUPAC(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1C[C@@H](c2ccccc2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H11BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9H2/t15-/m0/s1
InChIKeyXTTJSFMIDKNCOE-HNNXBMFYSA-N
MW303.15 g/mol
LogP4.16
Rot. Bonds1

About (2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one

(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 71059551) has the molecular formula C15H11BrO2 and a molecular weight of 303.15 g/mol. Its IUPAC name is (2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID71059551
Molecular FormulaC15H11BrO2
Molecular Weight303.15 g/mol
Exact Mass301.99
IUPAC Name(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1C[C@@H](c2ccccc2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H11BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9H2/t15-/m0/s1
InChIKeyXTTJSFMIDKNCOE-HNNXBMFYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one (CID 71059551) is (2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one is O=C1C[C@@H](c2ccccc2)Oc2ccc(Br)cc21.
What is the InChIKey of (2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is XTTJSFMIDKNCOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H11BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9H2/t15-/m0/s1.
What are the key properties of (2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one?
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 303.15 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 71059551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).