(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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Related Compounds

2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one
CID 122383805
(2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate
CID 102165607
3,3-dimethylbenzo[f][1,3]benzodioxin-1-one
CID 142590580
(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
CID 830125
(2S)-2-benzyl-2-methylbenzo[f]chromene-1,3-dione
CID 825143
Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 4-hydroxy-, 4-oxide,(11bS)-
CID 134129656
1-ethenyl-3-methyl-3-phenylbenzo[f]chromene
CID 102490161
spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one
CID 16643166
spiro[12-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene-13,9'-fluorene]
CID 16719393
(14R,15R)-14,15-diphenyl-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene-13,16-dione
CID 11477920
sodium 13-oxido-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 23673335
silver 13-oxido-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 71623628

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).