6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one

C15H8Br2O4 — CID 10024635

IUPAC6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c(Br)c(O)c(Br)c(O)c12
InChIInChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H
InChIKeyDHEXTYZLLGWEFS-UHFFFAOYSA-N
MW412.03 g/mol
LogP4.40
Rot. Bonds1

About 6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one

6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one (PubChem CID 10024635) has the molecular formula C15H8Br2O4 and a molecular weight of 412.03 g/mol. Its IUPAC name is 6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one
PubChem CID10024635
Molecular FormulaC15H8Br2O4
Molecular Weight412.03 g/mol
Exact Mass409.88
IUPAC Name6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c(Br)c(O)c(Br)c(O)c12
InChIInChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H
InChIKeyDHEXTYZLLGWEFS-UHFFFAOYSA-N
XLogP4.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.03
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5280443
Kaempferol
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Morin
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Genkwanin
CID 5281617
Acacetin
CID 5280442
7,4'-Dihydroxyflavone
CID 5282073
Norartocarpetin
CID 5481970
7-Hydroxyflavone
CID 5281894
Datiscetin
CID 5281610
Tectochrysin
CID 5281954

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one?
The IUPAC name of 6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one (CID 10024635) is 6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one.
What is the SMILES notation for 6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one?
The canonical SMILES for 6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2c(Br)c(O)c(Br)c(O)c12.
What is the InChIKey of 6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one?
The InChIKey is DHEXTYZLLGWEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2O4/c16-11-13(19)10-8(18)6-9(7-4-2-1-3-5-7)21-15(10)12(17)14(11)20/h1-6,19-20H.
What are the key properties of 6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one?
6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one has a molecular weight of 412.03 g/mol, XLogP of 4.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-5,7-dihydroxy-2-phenylchromen-4-one is sourced from PubChem (CID 10024635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).