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

C24H15ClO3 — CID 102218401

IUPAC(2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one
SMILESO=C1C2=C(O[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C24H15ClO3/c25-18-13-7-6-12-17(18)19-20-22(27)15-10-4-5-11-16(15)23(20)28-24(19)21(26)14-8-2-1-3-9-14/h1-13,19,24H/t19-,24-/m1/s1
InChIKeyRQTZGUQNXIWTCW-NTKDMRAZSA-N
MW386.83 g/mol
LogP5.31
Rot. Bonds3

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

(2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one (PubChem CID 102218401) has the molecular formula C24H15ClO3 and a molecular weight of 386.83 g/mol. Its IUPAC name is (2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one.

Molecular Properties

Compound Name(2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one
PubChem CID102218401
Molecular FormulaC24H15ClO3
Molecular Weight386.83 g/mol
Exact Mass386.07
IUPAC Name(2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one
SMILESO=C1C2=C(O[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C24H15ClO3/c25-18-13-7-6-12-17(18)19-20-22(27)15-10-4-5-11-16(15)23(20)28-24(19)21(26)14-8-2-1-3-9-14/h1-13,19,24H/t19-,24-/m1/s1
InChIKeyRQTZGUQNXIWTCW-NTKDMRAZSA-N
XLogP5.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.83
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-benzoyl-3-(4-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one
CID 73332929
(2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one
CID 102218399
(2S,3S)-3-(4-chlorophenyl)-2-(4-fluorobenzoyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 122370127
4-bromo-3-(2-chlorophenyl)-3,4-dihydroisochromen-1-one
CID 57332932
1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone
CID 11151361
[(1R,8S)-16-benzoyloxy-3,10-dichloro-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaenyl] benzoate
CID 170673852
(4S)-2-amino-4-(2-chlorophenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 28611974
methyl (4S)-4-(2-chlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6549459
(3S,4R)-3-benzoyl-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 45102125
1,2-diphenylethane-1,2-dione;phenanthrene-9,10-dione
CID 175371588
ethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 5153329
2-(3-oxo-1H-2-benzofuran-1-yl)-1-phenylbutane-1,3-dione
CID 10756184

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one?
The IUPAC name of (2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one (CID 102218401) is (2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one.
What is the SMILES notation for (2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one?
The canonical SMILES for (2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one is O=C1C2=C(O[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)c2ccccc21.
What is the InChIKey of (2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one?
The InChIKey is RQTZGUQNXIWTCW-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H15ClO3/c25-18-13-7-6-12-17(18)19-20-22(27)15-10-4-5-11-16(15)23(20)28-24(19)21(26)14-8-2-1-3-9-14/h1-13,19,24H/t19-,24-/m1/s1.
What are the key properties of (2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one?
(2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one has a molecular weight of 386.83 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-benzoyl-3-(2-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one is sourced from PubChem (CID 102218401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).