(2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one

C24H15BrO3 — CID 102218399

IUPAC(2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one
SMILESO=C1C2=C(O[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C24H15BrO3/c25-16-12-10-14(11-13-16)19-20-22(27)17-8-4-5-9-18(17)23(20)28-24(19)21(26)15-6-2-1-3-7-15/h1-13,19,24H/t19-,24-/m1/s1
InChIKeyQOQRZUWYYOYAFU-NTKDMRAZSA-N
MW431.29 g/mol
LogP5.42
Rot. Bonds3

About (2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one

(2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one (PubChem CID 102218399) has the molecular formula C24H15BrO3 and a molecular weight of 431.29 g/mol. Its IUPAC name is (2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one.

Molecular Properties

Compound Name(2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one
PubChem CID102218399
Molecular FormulaC24H15BrO3
Molecular Weight431.29 g/mol
Exact Mass430.02
IUPAC Name(2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one
SMILESO=C1C2=C(O[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C24H15BrO3/c25-16-12-10-14(11-13-16)19-20-22(27)17-8-4-5-9-18(17)23(20)28-24(19)21(26)15-6-2-1-3-7-15/h1-13,19,24H/t19-,24-/m1/s1
InChIKeyQOQRZUWYYOYAFU-NTKDMRAZSA-N
XLogP5.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one?
The IUPAC name of (2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one (CID 102218399) is (2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one.
What is the SMILES notation for (2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one?
The canonical SMILES for (2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one is O=C1C2=C(O[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of (2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one?
The InChIKey is QOQRZUWYYOYAFU-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H15BrO3/c25-16-12-10-14(11-13-16)19-20-22(27)17-8-4-5-9-18(17)23(20)28-24(19)21(26)15-6-2-1-3-7-15/h1-13,19,24H/t19-,24-/m1/s1.
What are the key properties of (2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one?
(2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one has a molecular weight of 431.29 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one is sourced from PubChem (CID 102218399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).