2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one

C22H14O3 — CID 122383805

IUPAC2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one
SMILESO=C1c2c(ccc3ccccc23)OC1(O)c1ccc2ccccc2c1
InChIInChI=1S/C22H14O3/c23-21-20-18-8-4-3-6-15(18)10-12-19(20)25-22(21,24)17-11-9-14-5-1-2-7-16(14)13-17/h1-13,24H
InChIKeyQTJNIEPAAQIMOX-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.41
Rot. Bonds1

About 2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one

2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one (PubChem CID 122383805) has the molecular formula C22H14O3 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one.

Molecular Properties

Compound Name2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one
PubChem CID122383805
Molecular FormulaC22H14O3
Molecular Weight326.35 g/mol
Exact Mass326.09
IUPAC Name2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one
SMILESO=C1c2c(ccc3ccccc23)OC1(O)c1ccc2ccccc2c1
InChIInChI=1S/C22H14O3/c23-21-20-18-8-4-3-6-15(18)10-12-19(20)25-22(21,24)17-11-9-14-5-1-2-7-16(14)13-17/h1-13,24H
InChIKeyQTJNIEPAAQIMOX-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one
CID 139042115
(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
5-[4-(2-chloronaphthalen-1-yl)phenyl]-3,4-dihydroxy-5-methylfuran-2-one
CID 54708208
7-hydroxy-7-(6-phenylnaphthalen-2-yl)benzo[a]anthracen-12-one
CID 163498039
spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one
CID 16643166
1-naphthalen-2-yl-3-phenyl-3H-2-benzofuran-1-ol
CID 59642868
(2S)-2-benzyl-2-methylbenzo[f]chromene-1,3-dione
CID 825143
anthracene;naphthalene;phenanthrene
CID 158591187
3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one
CID 24788889
(2S)-2-hydroxy-2-naphthalen-2-ylcyclopentan-1-one
CID 102347696

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one?
The IUPAC name of 2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one (CID 122383805) is 2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one.
What is the SMILES notation for 2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one?
The canonical SMILES for 2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one is O=C1c2c(ccc3ccccc23)OC1(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one?
The InChIKey is QTJNIEPAAQIMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O3/c23-21-20-18-8-4-3-6-15(18)10-12-19(20)25-22(21,24)17-11-9-14-5-1-2-7-16(14)13-17/h1-13,24H.
What are the key properties of 2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one?
2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one has a molecular weight of 326.35 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one is sourced from PubChem (CID 122383805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).