(2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one

C36H24O6 — CID 139042115

IUPAC(2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one
SMILESO=C1c2c(ccc3ccccc23)O[C@]1(O)c1ccccc1.O=C1c2c(ccc3ccccc23)O[C@]1(O)c1ccccc1
InChIInChI=1S/2C18H12O3/c2*19-17-16-14-9-5-4-6-12(14)10-11-15(16)21-18(17,20)13-7-2-1-3-8-13/h2*1-11,20H/t2*18-/m11/s1
InChIKeyRAEYHCULLPKWEX-BJRQBULFSA-N
MW552.58 g/mol
LogP6.52
Rot. Bonds2

About (2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one

(2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one (PubChem CID 139042115) has the molecular formula C36H24O6 and a molecular weight of 552.58 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one
PubChem CID139042115
Molecular FormulaC36H24O6
Molecular Weight552.58 g/mol
Exact Mass552.16
IUPAC Name(2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one
SMILESO=C1c2c(ccc3ccccc23)O[C@]1(O)c1ccccc1.O=C1c2c(ccc3ccccc23)O[C@]1(O)c1ccccc1
InChIInChI=1S/2C18H12O3/c2*19-17-16-14-9-5-4-6-12(14)10-11-15(16)21-18(17,20)13-7-2-1-3-8-13/h2*1-11,20H/t2*18-/m11/s1
InChIKeyRAEYHCULLPKWEX-BJRQBULFSA-N
XLogP6.52
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.58
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one?
The IUPAC name of (2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one (CID 139042115) is (2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one.
What is the SMILES notation for (2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one?
The canonical SMILES for (2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one is O=C1c2c(ccc3ccccc23)O[C@]1(O)c1ccccc1.O=C1c2c(ccc3ccccc23)O[C@]1(O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one?
The InChIKey is RAEYHCULLPKWEX-BJRQBULFSA-N. The full InChI is InChI=1S/2C18H12O3/c2*19-17-16-14-9-5-4-6-12(14)10-11-15(16)21-18(17,20)13-7-2-1-3-8-13/h2*1-11,20H/t2*18-/m11/s1.
What are the key properties of (2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one?
(2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one has a molecular weight of 552.58 g/mol, XLogP of 6.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one is sourced from PubChem (CID 139042115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).