(3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one

C29H23O4P — CID 176914205

IUPAC(3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one
SMILESO=C1C[C@]2(CCc3cccc(OPOc4ccccc4-c4ccccc4)c32)c2ccccc2O1
InChIInChI=1S/C29H23O4P/c30-27-19-29(23-13-5-7-15-25(23)31-27)18-17-21-11-8-16-26(28(21)29)33-34-32-24-14-6-4-12-22(24)20-9-2-1-3-10-20/h1-16,34H,17-19H2/t29-/m1/s1
InChIKeyWKWHDIZVDPPABM-GDLZYMKVSA-N
MW466.47 g/mol
LogP6.86
Rot. Bonds5

About (3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one

(3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one (PubChem CID 176914205) has the molecular formula C29H23O4P and a molecular weight of 466.47 g/mol. Its IUPAC name is (3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one.

Molecular Properties

Compound Name(3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one
PubChem CID176914205
Molecular FormulaC29H23O4P
Molecular Weight466.47 g/mol
Exact Mass466.13
IUPAC Name(3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one
SMILESO=C1C[C@]2(CCc3cccc(OPOc4ccccc4-c4ccccc4)c32)c2ccccc2O1
InChIInChI=1S/C29H23O4P/c30-27-19-29(23-13-5-7-15-25(23)31-27)18-17-21-11-8-16-26(28(21)29)33-34-32-24-14-6-4-12-22(24)20-9-2-1-3-10-20/h1-16,34H,17-19H2/t29-/m1/s1
InChIKeyWKWHDIZVDPPABM-GDLZYMKVSA-N
XLogP6.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.47
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(2-phenylphenoxy)phosphane
CID 175384699
(3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione
CID 129374458
8-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
CID 115010910
(4R)-4-ethyl-4-methyl-3H-chromen-2-one
CID 101434564
(3R)-4-N-(9,9-dimethylfluoren-3-yl)-4-N,4-N'-diphenyl-4-N'-(3-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780003
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-phenylaniline
CID 90365671
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 90365643
5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
CID 50917365
bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158922186
spiro[6H-benzo[b][1]benzoxepine-5,3'-cyclopentane]-1'-one
CID 59416811
2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163752152
4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 90365685

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one?
The IUPAC name of (3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one (CID 176914205) is (3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one.
What is the SMILES notation for (3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one?
The canonical SMILES for (3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one is O=C1C[C@]2(CCc3cccc(OPOc4ccccc4-c4ccccc4)c32)c2ccccc2O1.
What is the InChIKey of (3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one?
The InChIKey is WKWHDIZVDPPABM-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H23O4P/c30-27-19-29(23-13-5-7-15-25(23)31-27)18-17-21-11-8-16-26(28(21)29)33-34-32-24-14-6-4-12-22(24)20-9-2-1-3-10-20/h1-16,34H,17-19H2/t29-/m1/s1.
What are the key properties of (3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one?
(3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one has a molecular weight of 466.47 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2-phenylphenoxy)phosphanyloxyspiro[1,2-dihydroindene-3,4'-3H-chromene]-2'-one is sourced from PubChem (CID 176914205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).