6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one

C18H15BrO3 — CID 58423914

IUPAC6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(C2CCOc3ccccc32)Oc2ccc(Br)cc21
InChIInChI=1S/C18H15BrO3/c19-11-5-6-17-14(9-11)15(20)10-18(22-17)13-7-8-21-16-4-2-1-3-12(13)16/h1-6,9,13,18H,7-8,10H2
InChIKeySRTDPFXAPIADJP-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.35
Rot. Bonds1

About 6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one

6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one (PubChem CID 58423914) has the molecular formula C18H15BrO3 and a molecular weight of 359.22 g/mol. Its IUPAC name is 6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one
PubChem CID58423914
Molecular FormulaC18H15BrO3
Molecular Weight359.22 g/mol
Exact Mass358.02
IUPAC Name6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(C2CCOc3ccccc32)Oc2ccc(Br)cc21
InChIInChI=1S/C18H15BrO3/c19-11-5-6-17-14(9-11)15(20)10-18(22-17)13-7-8-21-16-4-2-1-3-12(13)16/h1-6,9,13,18H,7-8,10H2
InChIKeySRTDPFXAPIADJP-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 58424087
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
6-bromo-2-(2,2-dimethyloxan-4-yl)-2,3-dihydrochromen-4-one
CID 58423902
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one
CID 90717668
(6-bromo-4-oxo-2,3-dihydrochromen-2-yl)-trifluoroboranuide
CID 132571084
6-bromo-2-(2-methylprop-1-enyl)-2,3-dihydrochromen-4-one
CID 44589096
(4aS,10aR)-8-bromo-3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromen-10-one
CID 123453666
2-cyclopropyl-2,3-dihydrochromen-4-one
CID 114671469
6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674234
7-bromo-2-(oxolan-3-yl)-2,3-dihydrochromen-4-one
CID 114673038
6-bromo-2-(2-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one
CID 114674168
6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one
CID 114283242

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one (CID 58423914) is 6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one is O=C1CC(C2CCOc3ccccc32)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one?
The InChIKey is SRTDPFXAPIADJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO3/c19-11-5-6-17-14(9-11)15(20)10-18(22-17)13-7-8-21-16-4-2-1-3-12(13)16/h1-6,9,13,18H,7-8,10H2.
What are the key properties of 6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one?
6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one has a molecular weight of 359.22 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 58423914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).